1-(2-chloranyl-5-nitro-phenyl)-3-[2-(1-methylbenzimidazol-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(1-methylbenzimidazol-2-yl)ethanoylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(1-methyl-2-benzimidazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]thiourea Formula: C17H15ClN6O3S MolecularWeight: 418.8574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CC(=O)NNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CC(=O)NNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN6O3S/c1-23-14-5-3-2-4-12(14)19-15(23)9-16(25)21-22-17(28)20-13-8-10(24(26)27)6-7-11(13)18/h2-8H,9H2,1H3,(H,21,25)(H2,20,22,28)