N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[1-(azetidin-1-yl)-2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[1-(azetidin-1-yl)-2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[1-(azetidin-1-yl)-2-(4-methylanilino)-2-oxo-ethyl]benzamide CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1-azetidinyl)-2-(4-methylanilino)-2-oxoethyl]benzamide IUPAC Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(azetidin-1-yl)-2-(4-methylanilino)-2-oxoethyl]benzamide Traditional Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[1-(azetidin-1-yl)-2-keto-2-(p-toluidino)ethyl]benzamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)N)N5CCC5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)N)N5CCC5

InChI

InChI=1S/C29H28N4O2S/c1-19-5-12-23(13-6-19)31-29(35)27(33-15-3-16-33)20-7-9-21(10-8-20)28(34)32-25-18-22(11-14-24(25)30)26-4-2-17-36-26/h2,4-14,17-18,27H,3,15-16,30H2,1H3,(H,31,35)(H,32,34)