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

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(3-pyridylmethyl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(3-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=CN=CC=C3)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3)C

InChI

InChI=1S/C20H26N4O2S2/c1-15-5-3-6-16(2)24(15)28(25,26)19-10-8-18(9-11-19)23-20(27)22-14-17-7-4-12-21-13-17/h4,7-13,15-16H,3,5-6,14H2,1-2H3,(H2,22,23,27)