3-(1,3-benzothiazol-2-yl)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2-ethylanilino)-2-oxo-ethyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(2-ethylanilino)-2-keto-ethyl]pyrazinamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N5O2S/c1-2-14-7-3-4-8-15(14)26-18(28)13-25-21(29)19-20(24-12-11-23-19)22-27-16-9-5-6-10-17(16)30-22/h3-12H,2,13H2,1H3,(H,25,29)(H,26,28)