2-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzamide

Systemtic Name: 2-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzamide Openeye Name: 2-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzamide CAS Name: 2-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzamide Traditional Name: 2-[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]benzamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C25H24N4O3S2/c1-15(30)17-10-12-18(13-11-17)27-25(33)28-19-6-5-7-20(14-19)34-16(2)24(32)29-22-9-4-3-8-21(22)23(26)31/h3-14,16H,1-2H3,(H2,26,31)(H,29,32)(H2,27,28,33)