N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-propan-2-ylsulfanyl-benzamide Openeye Name: N-benzyl-4-isopropylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(propan-2-ylthio)benzamide IUPAC Name: N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide Traditional Name: N-benzyl-4-(isopropylthio)-N-(4-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

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