1-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-3-propyl-thiourea

Systemtic Name: 1-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-3-propyl-thiourea Openeye Name: 1-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-propyl-thiourea CAS Name: 1-[[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-propylthiourea IUPAC Name: 1-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-propylthiourea Traditional Name: 1-[[(3S)-1-besylnipecotoyl]amino]-3-propyl-thiourea Formula: C16H24N4O3S2 MolecularWeight: 384.51676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3S2/c1-2-10-17-16(24)19-18-15(21)13-7-6-11-20(12-13)25(22,23)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,18,21)(H2,17,19,24)/t13-/m0/s1