4-[2-(4-phenylsulfanylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-(4-phenylsulfanylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-(4-phenylsulfanylbutanoylamino)thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[1-oxo-4-(phenylthio)butyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-(4-phenylsulfanylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[4-(phenylthio)butanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S2/c19-17(24)14-9-12(10-20-14)15-11-26-18(21-15)22-16(23)7-4-8-25-13-5-2-1-3-6-13/h1-3,5-6,9-11,20H,4,7-8H2,(H2,19,24)(H,21,22,23)