4-[2-[[4-oxidanylidene-4-(4-propoxyphenyl)butanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[[4-oxidanylidene-4-(4-propoxyphenyl)butanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[1,4-dioxo-4-(4-propoxyphenyl)butyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[[4-keto-4-(4-propoxyphenyl)butanoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N

InChI

InChI=1S/C21H22N4O4S/c1-2-9-29-15-5-3-13(4-6-15)18(26)7-8-19(27)25-21-24-17(12-30-21)14-10-16(20(22)28)23-11-14/h3-6,10-12,23H,2,7-9H2,1H3,(H2,22,28)(H,24,25,27)