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

Systemtic Name: 1-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-propyl-thiourea Openeye Name: 1-propyl-3-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]thiourea CAS Name: 1-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-propylthiourea IUPAC Name: 1-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-propylthiourea Traditional Name: 1-propyl-3-[[(3S)-1-tosylnipecotoyl]amino]thiourea Formula: C17H26N4O3S2 MolecularWeight: 398.54334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3S2/c1-3-10-18-17(25)20-19-16(22)14-5-4-11-21(12-14)26(23,24)15-8-6-13(2)7-9-15/h6-9,14H,3-5,10-12H2,1-2H3,(H,19,22)(H2,18,20,25)/t14-/m0/s1