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

Systemtic Name: phenethyl 4-[(4-aminocarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-carbamoylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-carbamoylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-carbamoylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-carbamoylphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c21-19(26)15-6-8-16(9-7-15)22-20(28)23-17(24)10-11-18(25)27-13-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,21,26)(H2,22,23,24,28)