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

Systemtic Name: N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O2S/c20-19(21)15-7-3-6-14(10-15)17-16(22)18-9-8-12-4-1-2-5-13(12)11-18/h1-7,10H,8-9,11H2,(H,17,22)