1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[4-[(2S)-2-methylpiperidino]sulfonylbenzoyl]amino]thiourea Formula: C19H30N4O3S2 MolecularWeight: 426.5965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C

InChI

InChI=1S/C19H30N4O3S2/c1-3-4-6-13-20-19(27)22-21-18(24)16-9-11-17(12-10-16)28(25,26)23-14-7-5-8-15(23)2/h9-12,15H,3-8,13-14H2,1-2H3,(H,21,24)(H2,20,22,27)/t15-/m0/s1