1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2-methylphenyl)urea

Systemtic Name: 1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2-methylphenyl)urea Openeye Name: 1-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(o-tolyl)urea CAS Name: 1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-3-(2-methylphenyl)urea IUPAC Name: 1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2-methylphenyl)urea Traditional Name: 1-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(o-tolyl)urea Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N

InChI

InChI=1S/C18H17N3OS2/c1-11-6-2-5-9-15(11)20-18(22)21-16-14(10-19)12-7-3-4-8-13(12)17(23)24-16/h2,5-6,9H,3-4,7-8H2,1H3,(H2,20,21,22)