4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-ethylpent-1-yn-3-yl)benzamide

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-ethylpent-1-yn-3-yl)benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethylpent-1-yn-3-yl)benzamide IUPAC Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethylpent-1-yn-3-yl)benzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H21N3O3S/c1-4-21(5-2,6-3)23-20(25)15-11-13-16(14-12-15)22-19-17-9-7-8-10-18(17)28(26,27)24-19/h1,7-14H,5-6H2,2-3H3,(H,22,24)(H,23,25)