4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C23H22N4O2S2/c1-15-5-9-18(10-6-15)26-23(30)27-19-3-2-4-20(13-19)31-14-21(28)25-17-11-7-16(8-12-17)22(24)29/h2-13H,14H2,1H3,(H2,24,29)(H,25,28)(H2,26,27,30)