N-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide

Systemtic Name: N-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide Openeye Name: N-[2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide CAS Name: N-[2-[[2-(butylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-methylbenzamide IUPAC Name: N-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide Traditional Name: N-[2-[[2-(butylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H23N3O2S2/c1-3-4-11-22-19(25)13-27-21-24-17-10-9-15(12-18(17)28-21)23-20(26)16-8-6-5-7-14(16)2/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,25)(H,23,26)