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

Systemtic Name: 1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2,4-dimethylphenyl)urea Openeye Name: 1-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2,4-dimethylphenyl)urea CAS Name: 1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-3-(2,4-dimethylphenyl)urea IUPAC Name: 1-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2,4-dimethylphenyl)urea Traditional Name: 1-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2,4-dimethylphenyl)urea Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3OS2/c1-11-7-8-16(12(2)9-11)21-19(23)22-17-15(10-20)13-5-3-4-6-14(13)18(24)25-17/h7-9H,3-6H2,1-2H3,(H2,21,22,23)