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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-4-isopropylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(propan-2-ylthio)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-4-(isopropylthio)-N-(4-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H27N3O3S3 MolecularWeight: 477.66308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

InChI

InChI=1S/C22H27N3O3S3/c1-15(2)29-17-11-9-16(10-12-17)21(26)25(14-13-24(3)4)22-23-20-18(30-22)7-6-8-19(20)31(5,27)28/h6-12,15H,13-14H2,1-5H3