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

Systemtic Name: 4-butoxy-N-[2-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-butoxy-N-[2-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-butoxy-N-[2-[[2-oxo-2-(2-phenoxyethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-butoxy-N-[2-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-butoxy-N-[2-[[2-keto-2-(2-phenoxyethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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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)NCCOC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCOC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O4S2/c1-2-3-16-34-23-12-9-20(10-13-23)27(33)30-21-11-14-24-25(18-21)37-28(31-24)36-19-26(32)29-15-17-35-22-7-5-4-6-8-22/h4-14,18H,2-3,15-17,19H2,1H3,(H,29,32)(H,30,33)