methyl 4-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate Openeye Name: methyl 4-[[3-[(2-chlorophenyl)methyl]thiazol-2-ylidene]carbamothioylamino]butanoate CAS Name: 4-[[[[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate Traditional Name: 4-[[3-(2-chlorobenzyl)-4-thiazolin-2-ylidene]thiocarbamoylamino]butyric acid methyl ester Formula: C16H18ClN3O2S2 MolecularWeight: 383.91602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N=C1N(C=CS1)CC2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)CCCNC(=S)N=C1N(C=CS1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C16H18ClN3O2S2/c1-22-14(21)7-4-8-18-15(23)19-16-20(9-10-24-16)11-12-5-2-3-6-13(12)17/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,18,23)