N-[(4-methylphenyl)methyl]-2-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoylamino]benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoylamino]benzamide Openeye Name: 2-[3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoylamino]-N-(p-tolylmethyl)benzamide CAS Name: 2-[[3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]-1-oxopropyl]amino]-N-[(4-methylphenyl)methyl]benzamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoylamino]benzamide Traditional Name: 2-[3-[[4-keto-4-(2-thienyl)butanoyl]amino]propanoylamino]-N-(4-methylbenzyl)benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C26H27N3O4S/c1-18-8-10-19(11-9-18)17-28-26(33)20-5-2-3-6-21(20)29-25(32)14-15-27-24(31)13-12-22(30)23-7-4-16-34-23/h2-11,16H,12-15,17H2,1H3,(H,27,31)(H,28,33)(H,29,32)