N-(2,6-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C23H23N3OS2 MolecularWeight: 421.57822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H23N3OS2/c1-16-8-6-9-17(2)22(16)26-21(27)15-29-20-13-7-12-19(14-20)25-23(28)24-18-10-4-3-5-11-18/h3-14H,15H2,1-2H3,(H,26,27)(H2,24,25,28)