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

Systemtic Name: N-butyl-6,7-dimethoxy-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-butyl-6,7-dimethoxy-1-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-butyl-6,7-dimethoxy-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-butyl-6,7-dimethoxy-1-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-butyl-1-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O5S/c1-5-6-10-28-27(35)29-11-9-18-13-24(31-3)25(32-4)15-21(18)22(29)16-33-19-7-8-20-17(2)12-26(30)34-23(20)14-19/h7-8,12-15,22H,5-6,9-11,16H2,1-4H3,(H,28,35)