4-[3-[3-[(4-aminocarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[3-[3-[(4-aminocarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[3-[3-(4-carbamoylanilino)-3-oxo-propyl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[3-[[3-(4-carbamoylanilino)-3-oxopropyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[3-(4-carbamoylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[3-[[3-(4-carbamoylanilino)-3-keto-propyl]thio]propanoylamino]benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C20H22N4O4S/c21-19(27)13-1-5-15(6-2-13)23-17(25)9-11-29-12-10-18(26)24-16-7-3-14(4-8-16)20(22)28/h1-8H,9-12H2,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26)