methyl 4-[[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[methyl-[2-(4-methylanilino)-2-oxo-ethyl]carbamothioyl]amino]butanoate CAS Name: 4-[[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamothioyl]amino]butanoate Traditional Name: 4-[[[2-keto-2-(p-toluidino)ethyl]-methyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H23N3O3S/c1-12-6-8-13(9-7-12)18-14(20)11-19(2)16(23)17-10-4-5-15(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,23)(H,18,20)