3-[[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N4O4S2/c1-3-25(4-2)31(28,29)16-9-7-8-15(14-16)21(27)24-23-19(26)12-13-20-22-17-10-5-6-11-18(17)30-20/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,27)/b13-12+