N-(2-ethyl-6-methyl-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2-ethyl-6-methylphenyl)butanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C26H29N3OS2 MolecularWeight: 463.65796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3OS2/c1-4-19-12-9-11-18(3)24(19)29-25(30)23(5-2)32-22-16-10-15-21(17-22)28-26(31)27-20-13-7-6-8-14-20/h6-17,23H,4-5H2,1-3H3,(H,29,30)(H2,27,28,31)