N-(3,5-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3,5-dimethylphenyl)butanamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C25H27N3OS2 MolecularWeight: 449.63138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)C)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)C)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C25H27N3OS2/c1-4-23(24(29)26-21-14-17(2)13-18(3)15-21)31-22-12-8-11-20(16-22)28-25(30)27-19-9-6-5-7-10-19/h5-16,23H,4H2,1-3H3,(H,26,29)(H2,27,28,30)