(phenylmethyl) N-[1-[(2-cycloheptyl-6-methanoyl-phenyl)amino]-3-methyl-1-sulfanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(2-cycloheptyl-6-methanoyl-phenyl)amino]-3-methyl-1-sulfanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[1-[(2-cycloheptyl-6-formyl-phenyl)carbamothioyl]-2-methyl-propyl]carbamate CAS Name: N-[1-(2-cycloheptyl-6-formylanilino)-3-methyl-1-sulfanylidenebutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-cycloheptyl-6-formylanilino)-3-methyl-1-sulfanylidenebutan-2-yl]carbamate Traditional Name: N-[1-[(2-cycloheptyl-6-formyl-phenyl)thiocarbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=S)NC1=C(C=CC=C1C2CCCCCC2)C=O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=S)NC1=C(C=CC=C1C2CCCCCC2)C=O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O3S/c1-19(2)24(29-27(31)32-18-20-11-6-5-7-12-20)26(33)28-25-22(17-30)15-10-16-23(25)21-13-8-3-4-9-14-21/h5-7,10-12,15-17,19,21,24H,3-4,8-9,13-14,18H2,1-2H3,(H,28,33)(H,29,31)