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

Systemtic Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-benzyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-benzyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-benzyl-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C28H32N2O3S/c1-4-20-10-12-23(13-11-20)33-19-25-24-17-27(32-3)26(31-2)16-22(24)14-15-30(25)28(34)29-18-21-8-6-5-7-9-21/h5-13,16-17,25H,4,14-15,18-19H2,1-3H3,(H,29,34)