1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(p-tolylsulfonyl)urea CAS Name: 1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-tosyl-urea Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N

InChI

InChI=1S/C18H17N3O3S3/c1-11-6-8-12(9-7-11)27(23,24)21-18(22)20-16-15(10-19)13-4-2-3-5-14(13)17(25)26-16/h6-9H,2-5H2,1H3,(H2,20,21,22)