N-(4-methyl-2-oxidanylidene-chromen-7-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H18N2O2S/c1-13-10-19(23)24-18-11-16(6-7-17(13)18)21-20(25)22-9-8-14-4-2-3-5-15(14)12-22/h2-7,10-11H,8-9,12H2,1H3,(H,21,25)