N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-2-(2-thienyl)cinchoninamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC(=O)N

InChI

InChI=1S/C24H20N4O3S/c25-22(29)14-27-23(30)16-9-7-15(8-10-16)13-26-24(31)18-12-20(21-6-3-11-32-21)28-19-5-2-1-4-17(18)19/h1-12H,13-14H2,(H2,25,29)(H,26,31)(H,27,30)