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

Systemtic Name: 1-butyl-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-butyl-3-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]thiourea CAS Name: 1-butyl-3-[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]thiourea IUPAC Name: 1-butyl-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-butyl-3-[4-[2-(3-pyridyl)piperidino]sulfonylphenyl]thiourea Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S2/c1-2-3-14-23-21(28)24-18-9-11-19(12-10-18)29(26,27)25-15-5-4-8-20(25)17-7-6-13-22-16-17/h6-7,9-13,16,20H,2-5,8,14-15H2,1H3,(H2,23,24,28)