1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(3-ethanoylphenyl)thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(3-ethanoylphenyl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiourea Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)C)C

InChI

InChI=1S/C22H27N3O3S2/c1-15-6-4-7-16(2)25(15)30(27,28)21-12-10-19(11-13-21)23-22(29)24-20-9-5-8-18(14-20)17(3)26/h5,8-16H,4,6-7H2,1-3H3,(H2,23,24,29)