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

Systemtic Name: 4-tert-butyl-N-[2-[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[[1-(4-ethoxyanilino)-1-oxopropan-2-yl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[2-keto-1-methyl-2-(p-phenetidino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H31N3O3S2/c1-6-35-23-14-11-21(12-15-23)30-26(33)18(2)36-28-32-24-16-13-22(17-25(24)37-28)31-27(34)19-7-9-20(10-8-19)29(3,4)5/h7-18H,6H2,1-5H3,(H,30,33)(H,31,34)