1-(3-chloranyl-2-methyl-phenyl)-3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]thiourea Formula: C21H24ClN5O3S MolecularWeight: 461.96496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NNC(=S)NC3=C(C(=CC=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NNC(=S)NC3=C(C(=CC=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN5O3S/c1-13-8-10-26(11-9-13)18-7-6-15(12-19(18)27(29)30)20(28)24-25-21(31)23-17-5-3-4-16(22)14(17)2/h3-7,12-13H,8-11H2,1-2H3,(H,24,28)(H2,23,25,31)