1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-6-yl)thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-6-yl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(1H-indol-6-yl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(1H-indol-6-yl)thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-6-yl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(1H-indol-6-yl)thiourea Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C=CN4)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C=CN4)C

InChI

InChI=1S/C22H26N4O2S2/c1-15-4-3-5-16(2)26(15)30(27,28)20-10-8-18(9-11-20)24-22(29)25-19-7-6-17-12-13-23-21(17)14-19/h6-16,23H,3-5H2,1-2H3,(H2,24,25,29)