1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(3-ethylpent-1-yn-3-yl)thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(3-ethylpent-1-yn-3-yl)thiourea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(3-ethylpent-1-yn-3-yl)thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(3-ethylpent-1-yn-3-yl)thiourea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiourea Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2C(CCCC2C)C

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2C(CCCC2C)C

InChI

InChI=1S/C21H31N3O2S2/c1-6-21(7-2,8-3)23-20(27)22-18-12-14-19(15-13-18)28(25,26)24-16(4)10-9-11-17(24)5/h1,12-17H,7-11H2,2-5H3,(H2,22,23,27)