N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonyl-4-oxidanyl-benzamide

Systemtic Name: N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonyl-4-oxidanyl-benzamide Openeye Name: 4-hydroxy-N-[4-(p-tolylcarbamothioylamino)phenyl]sulfonyl-benzamide CAS Name: 4-hydroxy-N-[4-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: 4-hydroxy-N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: 4-hydroxy-N-[4-(p-tolylthiocarbamoylamino)phenyl]sulfonyl-benzamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S2/c1-14-2-6-16(7-3-14)22-21(29)23-17-8-12-19(13-9-17)30(27,28)24-20(26)15-4-10-18(25)11-5-15/h2-13,25H,1H3,(H,24,26)(H2,22,23,29)