N-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methoxy-benzamide

Systemtic Name: N-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methoxy-benzamide Openeye Name: N-[2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methoxy-benzamide CAS Name: N-[2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-methoxybenzamide IUPAC Name: N-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methoxybenzamide Traditional Name: N-[2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-methoxy-benzamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H23N3O3S2/c1-15-4-10-20(16(2)12-15)27-23(29)14-32-25-28-21-11-7-18(13-22(21)33-25)26-24(30)17-5-8-19(31-3)9-6-17/h4-13H,14H2,1-3H3,(H,26,30)(H,27,29)