4-butoxy-N-[2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-butoxy-N-[2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-butoxy-N-[2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-butoxy-N-[2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-butoxy-N-[2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-butoxy-N-[2-[(2-cumidino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H31N3O3S2/c1-4-5-16-35-24-13-8-21(9-14-24)28(34)31-23-12-15-25-26(17-23)37-29(32-25)36-18-27(33)30-22-10-6-20(7-11-22)19(2)3/h6-15,17,19H,4-5,16,18H2,1-3H3,(H,30,33)(H,31,34)