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

Systemtic Name: 4-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzamide Openeye Name: 4-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzamide CAS Name: 4-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzamide IUPAC Name: 4-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzamide Traditional Name: 4-[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=C(C=C1)C(=O)N)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=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)28-19-13-9-18(10-14-19)24(27)32)35-22-6-4-5-21(15-22)30-26(34)29-20-11-7-17(8-12-20)16(2)31/h4-15,23H,3H2,1-2H3,(H2,27,32)(H,28,33)(H2,29,30,34)