phenethyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-cyanoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-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=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C#N

InChI

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