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

Systemtic Name: 4-ethoxy-N-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-ethoxy-N-[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-ethoxy-N-[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-ethoxy-N-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-ethoxy-N-[2-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC(=C4)C

InChI

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