1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea Formula: C20H29N5O2S2 MolecularWeight: 435.60656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCCN3C=CN=C3)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCCN3C=CN=C3)C

InChI

InChI=1S/C20H29N5O2S2/c1-16-5-3-6-17(2)25(16)29(26,27)19-9-7-18(8-10-19)23-20(28)22-11-4-13-24-14-12-21-15-24/h7-10,12,14-17H,3-6,11,13H2,1-2H3,(H2,22,23,28)