1-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]-3-(4-nitrophenyl)thiourea Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N6O3S/c1-3-23-11(2)19-15-10-12(4-9-16(15)23)17(25)21-22-18(28)20-13-5-7-14(8-6-13)24(26)27/h4-10H,3H2,1-2H3,(H,21,25)(H2,20,22,28)