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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]butyramide Formula: C27H31N3O2S2 MolecularWeight: 493.68394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC)C

InChI

InChI=1S/C27H31N3O2S2/c1-5-19-12-9-11-18(3)25(19)30-26(31)24(6-2)34-21-14-10-13-20(17-21)28-27(33)29-22-15-7-8-16-23(22)32-4/h7-17,24H,5-6H2,1-4H3,(H,30,31)(H2,28,29,33)