1-ethyl-3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-ethyl-3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]thiourea Openeye Name: 1-ethyl-3-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]thiourea CAS Name: 1-ethyl-3-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-ethyl-3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea Traditional Name: 1-ethyl-3-[[(3S)-1-tosylnipecotoyl]amino]thiourea Formula: C16H24N4O3S2 MolecularWeight: 384.51676

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCNC(=S)NNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H24N4O3S2/c1-3-17-16(24)19-18-15(21)13-5-4-10-20(11-13)25(22,23)14-8-6-12(2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,21)(H2,17,19,24)/t13-/m0/s1