phenethyl 4-[(4-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(4-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-cyanophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-cyanoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-cyanophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-cyanophenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c21-14-16-6-8-17(9-7-16)22-20(27)23-18(24)10-11-19(25)26-13-12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,22,23,24,27)