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

Systemtic Name: 4-butoxy-N-[2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-butoxy-N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-butoxy-N-[2-[[2-oxo-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-butoxy-N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-butoxy-N-[2-[[2-keto-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S2/c1-2-3-17-34-23-12-9-21(10-13-23)27(33)30-22-11-14-24-25(18-22)36-28(31-24)35-19-26(32)29-16-15-20-7-5-4-6-8-20/h4-14,18H,2-3,15-17,19H2,1H3,(H,29,32)(H,30,33)