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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-6,7-dimethoxy-1-[(2-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=CC=C4OC)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC

InChI

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