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

Systemtic Name: N-[2-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-chloranyl-benzamide Openeye Name: N-[2-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-chloro-benzamide CAS Name: N-[2-[[2-(4-butoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-chlorobenzamide IUPAC Name: N-[2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-chlorobenzamide Traditional Name: N-[2-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-chloro-benzamide Formula: C26H24ClN3O3S2 MolecularWeight: 526.07006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H24ClN3O3S2/c1-2-3-14-33-19-11-8-17(9-12-19)28-24(31)16-34-26-30-22-13-10-18(15-23(22)35-26)29-25(32)20-6-4-5-7-21(20)27/h4-13,15H,2-3,14,16H2,1H3,(H,28,31)(H,29,32)