2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(4-butylphenyl)ethanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(4-butylphenyl)ethanamide Openeye Name: N-(4-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]acetamide CAS Name: N-(4-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide Traditional Name: N-(4-butylphenyl)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]acetamide Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N3O3S/c1-3-4-7-15-10-12-16(13-11-15)21-19(24)14-23(2)20-17-8-5-6-9-18(17)27(25,26)22-20/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,24)