phenethyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-benzamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-benzamidophenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H25N3O4S/c30-23(14-15-24(31)33-17-16-19-8-3-1-4-9-19)29-26(34)28-22-13-7-12-21(18-22)27-25(32)20-10-5-2-6-11-20/h1-13,18H,14-17H2,(H,27,32)(H2,28,29,30,34)