N-[2-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-[2-[2-(2,3-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-[2-[[2-(2,3-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methyltetrazol-5-yl)thio]acetamide Formula: C21H21N7O2S3 MolecularWeight: 499.63214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NN=NN4C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NN=NN4C)C

InChI

InChI=1S/C21H21N7O2S3/c1-12-5-4-6-15(13(12)2)23-19(30)11-32-21-24-16-8-7-14(9-17(16)33-21)22-18(29)10-31-20-25-26-27-28(20)3/h4-9H,10-11H2,1-3H3,(H,22,29)(H,23,30)