N-(2-ethyl-6-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C27H31N3OS2 MolecularWeight: 477.68454

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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=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3OS2/c1-5-20-10-7-9-19(4)25(20)30-26(31)24(6-2)33-23-12-8-11-22(17-23)29-27(32)28-21-15-13-18(3)14-16-21/h7-17,24H,5-6H2,1-4H3,(H,30,31)(H2,28,29,32)