N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H17N3O2S2/c17-23(20,21)15-7-5-14(6-8-15)18-16(22)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,22)(H2,17,20,21)