1-[2-(1-methylbenzimidazol-2-yl)ethanoylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[2-(1-methylbenzimidazol-2-yl)ethanoylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[2-(1-methyl-2-benzimidazolyl)-1-oxoethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]-3-(4-nitrophenyl)thiourea Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O3S/c1-22-14-5-3-2-4-13(14)19-15(22)10-16(24)20-21-17(27)18-11-6-8-12(9-7-11)23(25)26/h2-9H,10H2,1H3,(H,20,24)(H2,18,21,27)