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

Systemtic Name: N-butyl-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-butyl-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-butyl-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-butyl-6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-butyl-1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(C)C)OC)OC

Isomeric SMILES

CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(C)C)OC)OC

InChI

InChI=1S/C26H36N2O3S/c1-6-7-13-27-26(32)28-14-12-20-15-24(29-4)25(30-5)16-22(20)23(28)17-31-21-10-8-19(9-11-21)18(2)3/h8-11,15-16,18,23H,6-7,12-14,17H2,1-5H3,(H,27,32)