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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C19H19N3O3S3 MolecularWeight: 433.56746

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H19N3O3S3/c1-26-15-5-4-6-16-17(15)20-19(27-16)21-18(23)13-7-9-14(10-8-13)28(24,25)22-11-2-3-12-22/h4-10H,2-3,11-12H2,1H3,(H,20,21,23)