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

Systemtic Name: 4-tert-butyl-N-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[2-keto-2-(p-anisidino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S2/c1-27(2,3)18-7-5-17(6-8-18)25(32)29-20-11-14-22-23(15-20)35-26(30-22)34-16-24(31)28-19-9-12-21(33-4)13-10-19/h5-15H,16H2,1-4H3,(H,28,31)(H,29,32)