N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H23N3O3S3 MolecularWeight: 545.69552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C6=CC=CS6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C28H23N3O3S3/c1-18-8-13-23-25(15-18)36-28(30-23)19-9-11-22(12-10-19)29-27(32)24-16-20-5-2-3-6-21(20)17-31(24)37(33,34)26-7-4-14-35-26/h2-15,24H,16-17H2,1H3,(H,29,32)