N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N5O2S2/c1-26-12-11-23-22(26)30-14-19(28)24-16-9-7-15(8-10-16)21(29)27(2)13-20-25-17-5-3-4-6-18(17)31-20/h3-12H,13-14H2,1-2H3,(H,24,28)