N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenethyl-benzamide

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenethyl-benzamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenethyl-benzamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2-phenethylbenzamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenethylbenzamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenethyl-benzamide Formula: C26H24N2OS2 MolecularWeight: 444.61156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2OS2/c1-17-11-14-21-22(15-17)26(30)31-25(23(21)16-27)28-24(29)20-10-6-5-9-19(20)13-12-18-7-3-2-4-8-18/h2-10,17H,11-15H2,1H3,(H,28,29)