methyl 4-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamothioyl]amino]butanoate CAS Name: 4-[[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamothioyl]amino]butanoate Traditional Name: 4-[[methyl-[4-(methylcarbamoyl)benzyl]thiocarbamoyl]amino]butyric acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCCCC(=O)OC

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCCCC(=O)OC

InChI

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