N-[2-(4-chlorophenyl)ethyl]-5-nitro-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-5-nitro-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-nitro-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-nitro-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-nitro-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-nitro-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(C=C2)O)[N+](=O)[O-])C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC2=C1C(=C(C=C2)O)[N+](=O)[O-])C(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O3S/c19-14-4-1-12(2-5-14)7-9-20-18(26)21-10-8-15-13(11-21)3-6-16(23)17(15)22(24)25/h1-6,23H,7-11H2,(H,20,26)