N-[4-[(3-chloranyl-4-methylsulfanyl-phenyl)carbamothioylamino]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[(3-chloranyl-4-methylsulfanyl-phenyl)carbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methylsulfanyl-phenyl)carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[3-chloro-4-(methylthio)anilino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[(3-chloro-4-methylsulfanylphenyl)carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[3-chloro-4-(methylthio)phenyl]thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C22H20ClN3OS2 MolecularWeight: 441.9967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)SC)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)SC)Cl

InChI

InChI=1S/C22H20ClN3OS2/c1-14-5-3-4-6-18(14)21(27)24-15-7-9-16(10-8-15)25-22(28)26-17-11-12-20(29-2)19(23)13-17/h3-13H,1-2H3,(H,24,27)(H2,25,26,28)