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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]propanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]propionamide Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S2/c1-5-19-11-8-10-17(2)24(19)29-25(30)18(3)33-21-13-9-12-20(16-21)27-26(32)28-22-14-6-7-15-23(22)31-4/h6-16,18H,5H2,1-4H3,(H,29,30)(H2,27,28,32)