N-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(3-chloro-4-methyl-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(3-chloro-4-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S2/c1-14-7-8-17(13-19(14)22)24-21(29)23-16-9-11-18(12-10-16)30(27,28)25-20(26)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)(H2,23,24,29)