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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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