4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-methyl-N-[2-(2-thienyl)ethyl]benzamide Formula: C22H20N2O3S3 MolecularWeight: 456.6008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H20N2O3S3/c1-15-5-7-16(8-6-15)21(25)24(12-11-17-4-3-13-28-17)22-23-19-10-9-18(30(2,26)27)14-20(19)29-22/h3-10,13-14H,11-12H2,1-2H3