methyl 3-[(2-chlorophenyl)methyl-(propylcarbamothioyl)amino]butanoate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl-(propylcarbamothioyl)amino]butanoate Openeye Name: methyl 3-[(2-chlorophenyl)methyl-(propylcarbamothioyl)amino]butanoate CAS Name: 3-[(2-chlorophenyl)methyl-[propylamino(sulfanylidene)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl-(propylcarbamothioyl)amino]butanoate Traditional Name: 3-[(2-chlorobenzyl)-(propylthiocarbamoyl)amino]butyric acid methyl ester Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N(CC1=CC=CC=C1Cl)C(C)CC(=O)OC

Isomeric SMILES

CCCNC(=S)N(CC1=CC=CC=C1Cl)C(C)CC(=O)OC

InChI

InChI=1S/C16H23ClN2O2S/c1-4-9-18-16(22)19(12(2)10-15(20)21-3)11-13-7-5-6-8-14(13)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)