N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H25N3O2S2/c1-14(20(27)25-21-24-17-7-5-6-8-18(17)29-21)28-16-11-9-15(10-12-16)23-19(26)13-22(2,3)4/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,25,27)