3-phenylpropyl 5-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C32H37N3O4S MolecularWeight: 559.71888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C32H37N3O4S/c1-32(2,3)25-19-17-24(18-20-25)30(38)33-26-13-7-14-27(22-26)34-31(40)35-28(36)15-8-16-29(37)39-21-9-12-23-10-5-4-6-11-23/h4-7,10-11,13-14,17-20,22H,8-9,12,15-16,21H2,1-3H3,(H,33,38)(H2,34,35,36,40)