1-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]thiourea Formula: C19H30N4O3S2 MolecularWeight: 426.5965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)C

InChI

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