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

Systemtic Name: N-butyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-butyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-butyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-butyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-butyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3S/c1-5-7-13-26-25(31)27-14-12-19-15-23(28-3)24(29-4)16-21(19)22(27)17-30-20-10-8-18(6-2)9-11-20/h8-11,15-16,22H,5-7,12-14,17H2,1-4H3,(H,26,31)