1-(3-chloranyl-2-methyl-phenyl)-3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]thiourea Formula: C21H25ClN4O4S2 MolecularWeight: 497.0306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25ClN4O4S2/c1-14-18(22)6-3-7-19(14)23-21(31)25-24-20(27)15-5-4-12-26(13-15)32(28,29)17-10-8-16(30-2)9-11-17/h3,6-11,15H,4-5,12-13H2,1-2H3,(H,24,27)(H2,23,25,31)