1-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-3-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]urea IUPAC Name: 1-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C24H27N3OS2 MolecularWeight: 437.62068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3OS2/c1-14(2)16-7-6-8-17(12-16)24(4,5)27-23(28)26-21-20(13-25)18-10-9-15(3)11-19(18)22(29)30-21/h6-8,12,15H,1,9-11H2,2-5H3,(H2,26,27,28)