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

Systemtic Name: 2-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzamide Openeye Name: 2-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzamide CAS Name: 2-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzamide IUPAC Name: 2-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzamide Traditional Name: 2-[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]butanoylamino]benzamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C26H26N4O3S2/c1-3-23(25(33)30-22-10-5-4-9-21(22)24(27)32)35-20-8-6-7-19(15-20)29-26(34)28-18-13-11-17(12-14-18)16(2)31/h4-15,23H,3H2,1-2H3,(H2,27,32)(H,30,33)(H2,28,29,34)