4-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

InChI

InChI=1S/C18H16N4O4S/c19-17(24)12-6-11(7-20-12)13-8-27-18(21-13)22-16(23)4-2-10-1-3-14-15(5-10)26-9-25-14/h1,3,5-8,20H,2,4,9H2,(H2,19,24)(H,21,22,23)