4-[2-[3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[1-oxo-3-(2-oxo-3-propyl-1-benzimidazolyl)propyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[3-(2-keto-3-propyl-benzimidazol-1-yl)propanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

InChI

InChI=1S/C21H22N6O3S/c1-2-8-26-16-5-3-4-6-17(16)27(21(26)30)9-7-18(28)25-20-24-15(12-31-20)13-10-14(19(22)29)23-11-13/h3-6,10-12,23H,2,7-9H2,1H3,(H2,22,29)(H,24,25,28)