2-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]-N-(1,3-benzodioxol-5-yl)benzamide

Systemtic Name: 2-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]-N-(1,3-benzodioxol-5-yl)benzamide Openeye Name: 2-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide CAS Name: 2-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)amino]-N-(1,3-benzodioxol-5-yl)benzamide IUPAC Name: 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-N-(1,3-benzodioxol-5-yl)benzamide Traditional Name: 2-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C23H21N3O5S/c1-14(27)24-18(21-7-4-10-32-21)12-22(28)26-17-6-3-2-5-16(17)23(29)25-15-8-9-19-20(11-15)31-13-30-19/h2-11,18H,12-13H2,1H3,(H,24,27)(H,25,29)(H,26,28)