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

Systemtic Name: methyl 4-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[(3-amino-3-oxopropyl)-benzylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]amino]-4-keto-butyric acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-23-15(22)8-7-14(21)18-16(24)19(10-9-13(17)20)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,17,20)(H,18,21,24)