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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3S/c1-13(2)7-10-19-18(27)21-20-17(24)14-8-11-22(12-9-14)15-5-3-4-6-16(15)23(25)26/h3-6,13-14H,7-12H2,1-2H3,(H,20,24)(H2,19,21,27)