tert-butyl 4-[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-5-yl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-5-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(2-carbamoyl-3-phenylsulfanyl-1H-indol-5-yl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[[2-carbamoyl-3-(phenylthio)-1H-indol-5-yl]methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-carbamoyl-3-phenylsulfanyl-1H-indol-5-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[[2-carbamoyl-3-(phenylthio)-1H-indol-5-yl]methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C26H32N4O3S/c1-26(2,3)33-25(32)30-13-7-12-29(14-15-30)17-18-10-11-21-20(16-18)23(22(28-21)24(27)31)34-19-8-5-4-6-9-19/h4-6,8-11,16,28H,7,12-15,17H2,1-3H3,(H2,27,31)