1-(3-chloranyl-2-methyl-phenyl)-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-(2-nitrophenyl)isonipecotoyl]amino]thiourea Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN5O3S/c1-13-15(21)5-4-6-16(13)22-20(30)24-23-19(27)14-9-11-25(12-10-14)17-7-2-3-8-18(17)26(28)29/h2-8,14H,9-12H2,1H3,(H,23,27)(H2,22,24,30)