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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29ClN2O4S MolecularWeight: 513.04816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)OC)OC)OC

InChI

InChI=1S/C27H29ClN2O4S/c1-17-22(28)6-5-7-23(17)29-27(35)30-13-12-18-14-25(32-3)26(33-4)15-21(18)24(30)16-34-20-10-8-19(31-2)9-11-20/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,29,35)