N-ethyl-6,7-dimethoxy-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-ethyl-6,7-dimethoxy-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-ethyl-6,7-dimethoxy-1-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-ethyl-6,7-dimethoxy-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-ethyl-6,7-dimethoxy-1-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-ethyl-1-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC4=C(C=C3)C(=CC(=O)O4)C)OC)OC

Isomeric SMILES

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC4=C(C=C3)C(=CC(=O)O4)C)OC)OC

InChI

InChI=1S/C25H28N2O5S/c1-5-26-25(33)27-9-8-16-11-22(29-3)23(30-4)13-19(16)20(27)14-31-17-6-7-18-15(2)10-24(28)32-21(18)12-17/h6-7,10-13,20H,5,8-9,14H2,1-4H3,(H,26,33)