4-[1-acetamido-2-(methylamino)-2-oxidanylidene-ethyl]-N-(2-azanyl-5-thiophen-2-yl-phenyl)benzamide

Systemtic Name: 4-[1-acetamido-2-(methylamino)-2-oxidanylidene-ethyl]-N-(2-azanyl-5-thiophen-2-yl-phenyl)benzamide Openeye Name: 4-[1-acetamido-2-(methylamino)-2-oxo-ethyl]-N-[2-amino-5-(2-thienyl)phenyl]benzamide CAS Name: 4-[1-acetamido-2-(methylamino)-2-oxoethyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide IUPAC Name: 4-[1-acetamido-2-(methylamino)-2-oxoethyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide Traditional Name: 4-[1-acetamido-2-keto-2-(methylamino)ethyl]-N-[2-amino-5-(2-thienyl)phenyl]benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N)C(=O)NC

Isomeric SMILES

CC(=O)NC(C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N)C(=O)NC

InChI

InChI=1S/C22H22N4O3S/c1-13(27)25-20(22(29)24-2)14-5-7-15(8-6-14)21(28)26-18-12-16(9-10-17(18)23)19-4-3-11-30-19/h3-12,20H,23H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)