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

Systemtic Name: 4-tert-butyl-N-[2-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[2-(2-chloroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[[2-(2-chloroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[2-(2-chloroanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C26H24ClN3O2S2 MolecularWeight: 510.07066

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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=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C26H24ClN3O2S2/c1-26(2,3)17-10-8-16(9-11-17)24(32)28-18-12-13-21-22(14-18)34-25(30-21)33-15-23(31)29-20-7-5-4-6-19(20)27/h4-14H,15H2,1-3H3,(H,28,32)(H,29,31)