1-(4-methoxyphenyl)sulfonyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-(5-thioxo-1,2,4-dithiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-(5-thioxo-1,2,4-dithiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C19H17N3O4S4 MolecularWeight: 479.61598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2C3=CC=CC=C3CC(N2)C(=O)NC4=NC(=S)SS4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2C3=CC=CC=C3CC(N2)C(=O)NC4=NC(=S)SS4

InChI

InChI=1S/C19H17N3O4S4/c1-26-12-6-8-13(9-7-12)30(24,25)17-14-5-3-2-4-11(14)10-15(20-17)16(23)21-18-22-19(27)29-28-18/h2-9,15,17,20H,10H2,1H3,(H,21,22,23,27)