N-(2-aminophenyl)-3-methoxy-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2-aminophenyl)-3-methoxy-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-aminophenyl)-3-methoxy-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-aminophenyl)-3-methoxy-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-aminophenyl)-3-methoxy-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-aminophenyl)-3-methoxy-1H-isoquinoline-2-carbothioamide Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2CN1C(=S)NC3=CC=CC=C3N

Isomeric SMILES

COC1=CC2=CC=CC=C2CN1C(=S)NC3=CC=CC=C3N

InChI

InChI=1S/C17H17N3OS/c1-21-16-10-12-6-2-3-7-13(12)11-20(16)17(22)19-15-9-5-4-8-14(15)18/h2-10H,11,18H2,1H3,(H,19,22)