2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-methoxyphenyl)propanamide

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-methoxyphenyl)propanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-methoxyphenyl)propanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-methoxyphenyl)propanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-methoxyphenyl)propionamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C25H25N3O3S2/c1-16(29)18-7-9-20(10-8-18)27-25(32)28-21-5-4-6-23(15-21)33-17(2)24(30)26-19-11-13-22(31-3)14-12-19/h4-15,17H,1-3H3,(H,26,30)(H2,27,28,32)