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

Systemtic Name: 4-tert-butyl-N-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C28H29N3O2S2 MolecularWeight: 503.67876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H29N3O2S2/c1-5-18-6-12-21(13-7-18)29-25(32)17-34-27-31-23-15-14-22(16-24(23)35-27)30-26(33)19-8-10-20(11-9-19)28(2,3)4/h6-16H,5,17H2,1-4H3,(H,29,32)(H,30,33)