1-(2-methyl-1-phenyl-benzimidazol-5-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(2-methyl-1-phenyl-benzimidazol-5-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(2-methyl-1-phenyl-benzimidazol-5-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(2-methyl-1-phenyl-5-benzimidazolyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(2-methyl-1-phenylbenzimidazol-5-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(2-methyl-1-phenyl-benzimidazol-5-yl)-3-(4-nitrophenyl)thiourea Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O2S/c1-14-22-19-13-16(9-12-20(19)25(14)17-5-3-2-4-6-17)24-21(29)23-15-7-10-18(11-8-15)26(27)28/h2-13H,1H3,(H2,23,24,29)