[5-[(1-azanyl-4-methylsulfonyl-1-oxidanylidene-butan-2-yl)carbamoyl]-5-oxidanyl-3-(phenylcarbamothioylamino)-2-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate

Systemtic Name: [5-[(1-azanyl-4-methylsulfonyl-1-oxidanylidene-butan-2-yl)carbamoyl]-5-oxidanyl-3-(phenylcarbamothioylamino)-2-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate Openeye Name: [5-[(1-carbamoyl-3-methylsulfonyl-propyl)carbamoyl]-5-hydroxy-3-(phenylcarbamothioylamino)-2-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [5-[[(1-amino-4-methylsulfonyl-1-oxobutan-2-yl)amino]-oxomethyl]-2-[anilino(oxo)methoxy]-3-[[anilino(sulfanylidene)methyl]amino]-5-hydroxycyclohexyl] ester IUPAC Name: [5-[(1-amino-4-methylsulfonyl-1-oxobutan-2-yl)carbamoyl]-5-hydroxy-3-(phenylcarbamothioylamino)-2-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [5-[(1-carbamoyl-3-mesyl-propyl)carbamoyl]-5-hydroxy-2-(phenylcarbamoyloxy)-3-(phenylthiocarbamoylamino)cyclohexyl] ester Formula: C33H38N6O9S2 MolecularWeight: 726.81962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N)NC(=O)C1(CC(C(C(C1)OC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4)O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N)NC(=O)C1(CC(C(C(C1)OC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4)O

InChI

InChI=1S/C33H38N6O9S2/c1-50(45,46)18-17-24(28(34)40)38-29(41)33(44)19-25(39-30(49)35-21-11-5-2-6-12-21)27(48-32(43)37-23-15-9-4-10-16-23)26(20-33)47-31(42)36-22-13-7-3-8-14-22/h2-16,24-27,44H,17-20H2,1H3,(H2,34,40)(H,36,42)(H,37,43)(H,38,41)(H2,35,39,49)