3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N4O3S3/c1-2-28-20-23-22-19(29-20)21-18(25)15-8-5-9-17(12-15)30(26,27)24-11-10-14-6-3-4-7-16(14)13-24/h3-9,12H,2,10-11,13H2,1H3,(H,21,22,25)