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

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

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CCN3C(=S)NC(C)(C)C)OC)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CCN3C(=S)NC(C)(C)C)OC)OC

InChI

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