3-phenylpropyl 5-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3)C

InChI

InChI=1S/C30H33N3O4S/c1-21-17-18-24(20-22(21)2)31-29(36)25-13-6-7-14-26(25)32-30(38)33-27(34)15-8-16-28(35)37-19-9-12-23-10-4-3-5-11-23/h3-7,10-11,13-14,17-18,20H,8-9,12,15-16,19H2,1-2H3,(H,31,36)(H2,32,33,34,38)