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

Systemtic Name: 1-butyl-3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]thiourea Openeye Name: 1-butyl-3-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]thiourea CAS Name: 1-butyl-3-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-butyl-3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea Traditional Name: 1-butyl-3-[[(3S)-1-tosylnipecotoyl]amino]thiourea Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S2/c1-3-4-11-19-18(26)21-20-17(23)15-6-5-12-22(13-15)27(24,25)16-9-7-14(2)8-10-16/h7-10,15H,3-6,11-13H2,1-2H3,(H,20,23)(H2,19,21,26)/t15-/m0/s1