4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]thio]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]thio]-N-(2,6-dimethylphenyl)butyramide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C23H28N2O4S/c1-16-6-3-7-17(2)23(16)25-21(26)8-4-13-30-15-22(27)24-18-9-10-19-20(14-18)29-12-5-11-28-19/h3,6-7,9-10,14H,4-5,8,11-13,15H2,1-2H3,(H,24,27)(H,25,26)