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

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(2-piperidin-1-ylethyl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-[2-(1-piperidyl)ethyl]thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-[2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(2-piperidin-1-ylethyl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(2-piperidinoethyl)thiourea Formula: C21H34N4O2S2 MolecularWeight: 438.65026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCN3CCCCC3)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCN3CCCCC3)C

InChI

InChI=1S/C21H34N4O2S2/c1-17-7-6-8-18(2)25(17)29(26,27)20-11-9-19(10-12-20)23-21(28)22-13-16-24-14-4-3-5-15-24/h9-12,17-18H,3-8,13-16H2,1-2H3,(H2,22,23,28)