N-(3,5-dimethylphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,5-dimethylphenyl)propanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,5-dimethylphenyl)propanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(3,5-dimethylphenyl)propionamide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C26H27N3O2S2/c1-16-12-17(2)14-23(13-16)27-25(31)19(4)33-24-7-5-6-22(15-24)29-26(32)28-21-10-8-20(9-11-21)18(3)30/h5-15,19H,1-4H3,(H,27,31)(H2,28,29,32)