1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indazol-5-yl)thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indazol-5-yl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(1H-indazol-5-yl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(1H-indazol-5-yl)thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indazol-5-yl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(1H-indazol-5-yl)thiourea Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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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)NN=C4)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)NN=C4)C

InChI

InChI=1S/C21H25N5O2S2/c1-14-4-3-5-15(2)26(14)30(27,28)19-9-6-17(7-10-19)23-21(29)24-18-8-11-20-16(12-18)13-22-25-20/h6-15H,3-5H2,1-2H3,(H,22,25)(H2,23,24,29)