3-phenylpropyl 4-[(4-aminocarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-aminocarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-carbamoylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-carbamoylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-carbamoylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-carbamoylphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c22-20(27)16-8-10-17(11-9-16)23-21(29)24-18(25)12-13-19(26)28-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H2,22,27)(H2,23,24,25,29)