N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-thiophen-2-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-thiophen-2-yl]-3-methylsulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thienyl]-3-methylsulfonyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thiophenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-3-methylsulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thienyl]-3-mesyl-benzamide Formula: C21H18N2O3S3 MolecularWeight: 442.57422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=CC=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=CC=C4)S(=O)(=O)C)C

InChI

InChI=1S/C21H18N2O3S3/c1-12-13(2)27-21(18(12)20-22-16-9-4-5-10-17(16)28-20)23-19(24)14-7-6-8-15(11-14)29(3,25)26/h4-11H,1-3H3,(H,23,24)