1-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[1-(2-nitrophenyl)isonipecotoyl]amino]thiourea Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O3S/c1-2-3-6-11-19-18(27)21-20-17(24)14-9-12-22(13-10-14)15-7-4-5-8-16(15)23(25)26/h4-5,7-8,14H,2-3,6,9-13H2,1H3,(H,20,24)(H2,19,21,27)