N-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[4-oxo-4-(2-thienyl)butanoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[4-keto-4-(2-thienyl)butanoyl]amino]phenyl]-piperonylamide Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N2O5S/c25-17(20-5-2-10-30-20)7-9-21(26)23-15-3-1-4-16(12-15)24-22(27)14-6-8-18-19(11-14)29-13-28-18/h1-6,8,10-12H,7,9,13H2,(H,23,26)(H,24,27)