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

Systemtic Name: 3-phenylpropyl 5-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-[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=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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