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

Systemtic Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-p-phenetyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C27H29N3O6S/c1-4-35-21-9-5-19(6-10-21)28-27(37)29-14-13-18-15-25(33-2)26(34-3)16-23(18)24(29)17-36-22-11-7-20(8-12-22)30(31)32/h5-12,15-16,24H,4,13-14,17H2,1-3H3,(H,28,37)