6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-phenethyl-hexanamide

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-phenethyl-hexanamide Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-phenethyl-hexanamide CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-phenethylhexanamide IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-phenethylhexanamide Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-phenethyl-hexanamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S/c25-20(22-16-14-17-9-3-1-4-10-17)13-5-2-8-15-23-21-18-11-6-7-12-19(18)28(26,27)24-21/h1,3-4,6-7,9-12H,2,5,8,13-16H2,(H,22,25)(H,23,24)