1-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C22H28N4O4S2 MolecularWeight: 476.61212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=S)NC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=S)NC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C22H28N4O4S2/c1-15-7-8-20(13-16(15)2)32(28,29)26-11-9-17(10-12-26)21(27)24-25-22(31)23-18-5-4-6-19(14-18)30-3/h4-8,13-14,17H,9-12H2,1-3H3,(H,24,27)(H2,23,25,31)