3-phenylpropyl 5-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[2-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[2-[ethyl(phenyl)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:

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

Isomeric SMILES

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

InChI

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