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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-ethylpent-1-yn-3-yl)propanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethylpent-1-yn-3-yl)propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethylpent-1-yn-3-yl)propanamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C17H21N3O3S/c1-4-17(5-2,6-3)19-15(21)11-12-18-16-13-9-7-8-10-14(13)24(22,23)20-16/h1,7-10H,5-6,11-12H2,2-3H3,(H,18,20)(H,19,21)