3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-phenoxybutyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-phenoxybutyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-phenoxybutyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-phenoxybutyl)propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-phenoxybutyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(4-phenoxybutyl)propionamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N3O4S/c24-19(21-13-6-7-15-27-16-8-2-1-3-9-16)12-14-22-20-17-10-4-5-11-18(17)28(25,26)23-20/h1-5,8-11H,6-7,12-15H2,(H,21,24)(H,22,23)