N-(2,6-dimethylphenyl)-4-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[[2-keto-2-(m-anisylamino)ethyl]thio]butyramide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)NCC2=CC(=CC=C2)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)NCC2=CC(=CC=C2)OC

InChI

InChI=1S/C22H28N2O3S/c1-16-7-4-8-17(2)22(16)24-20(25)11-6-12-28-15-21(26)23-14-18-9-5-10-19(13-18)27-3/h4-5,7-10,13H,6,11-12,14-15H2,1-3H3,(H,23,26)(H,24,25)