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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H33ClN2O3S MolecularWeight: 525.10192

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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)C(C)C)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H33ClN2O3S/c1-18(2)20-9-11-22(12-10-20)35-17-26-23-16-28(34-5)27(33-4)15-21(23)13-14-32(26)29(36)31-25-8-6-7-24(30)19(25)3/h6-12,15-16,18,26H,13-14,17H2,1-5H3,(H,31,36)