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

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

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S2/c1-28(2,3)21-11-9-20(10-12-21)26(33)30-22-13-14-23-24(17-22)35-27(31-23)34-18-25(32)29-16-15-19-7-5-4-6-8-19/h4-14,17H,15-16,18H2,1-3H3,(H,29,32)(H,30,33)