4-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide

Systemtic Name: 4-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Openeye Name: 4-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide CAS Name: 4-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thio]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 4-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Traditional Name: 4-[[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]thio]-N-(2,6-dimethylphenyl)butyramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H26N2O4S/c1-15-5-3-6-16(2)22(15)24-20(25)7-4-11-29-12-10-21(26)23-17-8-9-18-19(13-17)28-14-27-18/h3,5-6,8-9,13H,4,7,10-12,14H2,1-2H3,(H,23,26)(H,24,25)