N-(2,5-dimethylphenyl)-3-[3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-[3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: 3-[3-(2,5-dimethylanilino)-3-oxo-propyl]sulfanyl-N-(2,5-dimethylphenyl)propanamide CAS Name: 3-[[3-(2,5-dimethylanilino)-3-oxopropyl]thio]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 3-[3-(2,5-dimethylanilino)-3-oxopropyl]sulfanyl-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-[[3-(2,5-dimethylanilino)-3-keto-propyl]thio]-N-(2,5-dimethylphenyl)propionamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCSCCC(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCSCCC(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H28N2O2S/c1-15-5-7-17(3)19(13-15)23-21(25)9-11-27-12-10-22(26)24-20-14-16(2)6-8-18(20)4/h5-8,13-14H,9-12H2,1-4H3,(H,23,25)(H,24,26)