N-(3,5-dimethylphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C24H25N3OS2 MolecularWeight: 435.6048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C24H25N3OS2/c1-16-13-17(2)15-21(14-16)25-23(28)18(3)30-22-11-9-20(10-12-22)27-24(29)26-19-7-5-4-6-8-19/h4-15,18H,1-3H3,(H,25,28)(H2,26,27,29)