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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O2S/c17-14-6-5-13(20(21)22)9-15(14)18-16(23)19-8-7-11-3-1-2-4-12(11)10-19/h1-6,9H,7-8,10H2,(H,18,23)