3-(1,3-benzothiazol-2-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(p-tolylmethylsulfanyl)ethyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(4-methylphenyl)methylthio]ethyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(4-methylbenzyl)thio]ethyl]pyrazinamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4OS2/c1-15-6-8-16(9-7-15)14-28-13-12-25-21(27)19-20(24-11-10-23-19)22-26-17-4-2-3-5-18(17)29-22/h2-11H,12-14H2,1H3,(H,25,27)