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

Systemtic Name: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[bis[2-(methylamino)-2-oxidanylidene-ethyl]amino]benzamide Openeye Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[bis[2-(methylamino)-2-oxo-ethyl]amino]benzamide CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide IUPAC Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide Traditional Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[bis[2-keto-2-(methylamino)ethyl]amino]benzamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3S/c1-25-21(29)13-28(14-22(30)26-2)17-8-5-15(6-9-17)23(31)27-19-12-16(7-10-18(19)24)20-4-3-11-32-20/h3-12H,13-14,24H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)