[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[[4-(3-nitrophenyl)thiazol-2-yl]carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[[4-(3-nitrophenyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H17N5O5S/c1-2-18(31-20(28)13-6-7-15-16(9-13)23-11-22-15)19(27)25-21-24-17(10-32-21)12-4-3-5-14(8-12)26(29)30/h3-11,18H,2H2,1H3,(H,22,23)(H,24,25,27)