ethyl 4-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-amino-3-oxopropyl)-benzylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]amino]-4-keto-butyric acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O4S/c1-2-24-16(23)9-8-15(22)19-17(25)20(11-10-14(18)21)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,18,21)(H,19,22,25)