1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1-pyridin-3-ylethyl)thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1-pyridin-3-ylethyl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-[1-(3-pyridyl)ethyl]thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-[1-(3-pyridinyl)ethyl]thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1-pyridin-3-ylethyl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-[1-(3-pyridyl)ethyl]thiourea Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(C)C3=CN=CC=C3)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(C)C3=CN=CC=C3)C

InChI

InChI=1S/C21H28N4O2S2/c1-15-6-4-7-16(2)25(15)29(26,27)20-11-9-19(10-12-20)24-21(28)23-17(3)18-8-5-13-22-14-18/h5,8-17H,4,6-7H2,1-3H3,(H2,23,24,28)