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

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(2-pyridylmethyl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(2-pyridinylmethyl)thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(2-pyridylmethyl)thiourea Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=N3)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=N3)C

InChI

InChI=1S/C20H26N4O2S2/c1-15-6-5-7-16(2)24(15)28(25,26)19-11-9-17(10-12-19)23-20(27)22-14-18-8-3-4-13-21-18/h3-4,8-13,15-16H,5-7,14H2,1-2H3,(H2,22,23,27)