4-(6,7-dimethoxyisoquinolin-1-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyisoquinolin-1-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(6,7-dimethoxy-1-isoquinolyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-1-isoquinolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(6,7-dimethoxyisoquinolin-1-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(6,7-dimethoxy-1-isoquinolyl)piperazine-1-carbothioamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C23H26N4O2S/c1-28-20-14-18-8-9-24-22(19(18)15-21(20)29-2)26-10-12-27(13-11-26)23(30)25-16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,30)