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

Systemtic Name: N-[2-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-[[2-(4-butoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3S2/c1-2-3-15-32-21-12-9-19(10-13-21)27-24(30)17-33-26-29-22-14-11-20(16-23(22)34-26)28-25(31)18-7-5-4-6-8-18/h4-14,16H,2-3,15,17H2,1H3,(H,27,30)(H,28,31)