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

Systemtic Name: 1-(2-methylphenyl)-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]thiourea Openeye Name: 1-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiourea Traditional Name: 1-[[1-(2-nitrophenyl)isonipecotoyl]amino]-3-(o-tolyl)thiourea Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3S/c1-14-6-2-3-7-16(14)21-20(29)23-22-19(26)15-10-12-24(13-11-15)17-8-4-5-9-18(17)25(27)28/h2-9,15H,10-13H2,1H3,(H,22,26)(H2,21,23,29)