1-methyl-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-methyl-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-methyl-3-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]thiourea CAS Name: 1-methyl-3-[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]thiourea IUPAC Name: 1-methyl-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-methyl-3-[4-[2-(3-pyridyl)piperidino]sulfonylphenyl]thiourea Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=CN=CC=C3

InChI

InChI=1S/C18H22N4O2S2/c1-19-18(25)21-15-7-9-16(10-8-15)26(23,24)22-12-3-2-6-17(22)14-5-4-11-20-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H2,19,21,25)