1-(2,3-dimethylphenyl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[4-(3-methylpiperidino)sulfonylphenyl]thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3C)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C21H27N3O2S2/c1-15-6-5-13-24(14-15)28(25,26)19-11-9-18(10-12-19)22-21(27)23-20-8-4-7-16(2)17(20)3/h4,7-12,15H,5-6,13-14H2,1-3H3,(H2,22,23,27)