N-(2-ethyl-6-methyl-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C25H27N3OS2 MolecularWeight: 449.63138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)C

InChI

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