3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-veratryl-pyrazinamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H18N4O3S/c1-27-15-8-7-13(11-16(15)28-2)12-24-20(26)18-19(23-10-9-22-18)21-25-14-5-3-4-6-17(14)29-21/h3-11H,12H2,1-2H3,(H,24,26)