N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c1-2-11-28(25,26)23-10-9-14-7-8-16(12-15(14)13-23)21-19(24)20-22-17-5-3-4-6-18(17)27-20/h3-8,12H,2,9-11,13H2,1H3,(H,21,24)