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

Systemtic Name: 1-(3-chlorophenyl)-3-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)urea Openeye Name: 1-(3-chlorophenyl)-3-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)urea CAS Name: 1-(3-chlorophenyl)-3-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)urea IUPAC Name: 1-(3-chlorophenyl)-3-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)urea Traditional Name: 1-(3-chlorophenyl)-3-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)urea Formula: C18H16ClN3OS2 MolecularWeight: 389.92214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H16ClN3OS2/c1-10-5-6-13-14(7-10)17(24)25-16(15(13)9-20)22-18(23)21-12-4-2-3-11(19)8-12/h2-4,8,10H,5-7H2,1H3,(H2,21,22,23)