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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H26ClN3O5S MolecularWeight: 528.01974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C26H26ClN3O5S/c1-16-21(27)5-4-6-22(16)28-26(36)29-12-11-17-13-24(33-2)25(34-3)14-20(17)23(29)15-35-19-9-7-18(8-10-19)30(31)32/h4-10,13-14,23H,11-12,15H2,1-3H3,(H,28,36)