N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O3S2/c1-11-6-7-12-13(8-11)20(26)27-19(14(12)9-21)22-18(23)17-10-24-15-4-2-3-5-16(15)25-17/h2-5,11,17H,6-8,10H2,1H3,(H,22,23)