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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-(4-methoxyphenyl)sulfonylisonipecotoyl]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)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

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