3-(1,3-benzothiazol-2-yl)-N-[2-(phenylmethylsulfanyl)ethyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(phenylmethylsulfanyl)ethyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(2-benzylsulfanylethyl)pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(phenylmethylthio)ethyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(2-benzylsulfanylethyl)pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(benzylthio)ethyl]pyrazinamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4OS2/c26-20(24-12-13-27-14-15-6-2-1-3-7-15)18-19(23-11-10-22-18)21-25-16-8-4-5-9-17(16)28-21/h1-11H,12-14H2,(H,24,26)