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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]pyrazinamide Formula: C21H16ClN5O2S MolecularWeight: 437.90204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16ClN5O2S/c1-12-13(22)5-4-7-14(12)26-17(28)11-25-20(29)18-19(24-10-9-23-18)21-27-15-6-2-3-8-16(15)30-21/h2-10H,11H2,1H3,(H,25,29)(H,26,28)