1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=CC(=C3)C)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=CC(=C3)C)OC)C

InChI

InChI=1S/C22H29N3O3S2/c1-15-5-10-21(28-4)20(12-15)24-22(29)23-18-6-8-19(9-7-18)30(26,27)25-13-16(2)11-17(3)14-25/h5-10,12,16-17H,11,13-14H2,1-4H3,(H2,23,24,29)