N-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H29N3O5S/c1-4-5-11-24-23(32)25-12-10-16-13-21(29-2)22(30-3)14-19(16)20(25)15-31-18-8-6-17(7-9-18)26(27)28/h6-9,13-14,20H,4-5,10-12,15H2,1-3H3,(H,24,32)