N-(2-methoxy-5-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H17N3O3S/c1-23-16-7-6-14(20(21)22)10-15(16)18-17(24)19-9-8-12-4-2-3-5-13(12)11-19/h2-7,10H,8-9,11H2,1H3,(H,18,24)