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

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-21(2,3)12-18(25)22-14-8-10-15(11-9-14)27-13-19(26)24-20-23-16-6-4-5-7-17(16)28-20/h4-11H,12-13H2,1-3H3,(H,22,25)(H,23,24,26)