N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-thiadiazole-5-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-5-thiadiazolecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylthiadiazole-5-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-thiadiazole-5-carboxamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C21H22N4O3S2/c1-2-6-19-20(29-24-23-19)21(26)22-17-10-9-15-11-12-25(14-16(15)13-17)30(27,28)18-7-4-3-5-8-18/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,22,26)