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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3C)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C21H27N3O2S2/c1-15-7-6-9-20(17(15)3)23-21(27)22-18-10-12-19(13-11-18)28(25,26)24-14-5-4-8-16(24)2/h6-7,9-13,16H,4-5,8,14H2,1-3H3,(H2,22,23,27)