N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-propan-2-ylsulfonyl-benzamide Openeye Name: N-benzyl-3-isopropylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-benzyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide Traditional Name: N-benzyl-3-isopropylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C25H24N2O3S3/c1-17(2)33(29,30)20-12-7-11-19(15-20)24(28)27(16-18-9-5-4-6-10-18)25-26-23-21(31-3)13-8-14-22(23)32-25/h4-15,17H,16H2,1-3H3