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

Systemtic Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC)OC)OC

InChI

InChI=1S/C22H28N2O3S/c1-5-15-6-8-17(9-7-15)27-14-19-18-13-21(26-4)20(25-3)12-16(18)10-11-24(19)22(28)23-2/h6-9,12-13,19H,5,10-11,14H2,1-4H3,(H,23,28)