N-[(3-chlorophenyl)methyl]-N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(3-chlorobenzyl)-N-methyl-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-25-11-10-23-21(25)29-14-19(27)24-18-8-6-16(7-9-18)20(28)26(2)13-15-4-3-5-17(22)12-15/h3-12H,13-14H2,1-2H3,(H,24,27)