3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylpropyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylpropyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylpropyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylpropyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylpropyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylpropyl]pyrazinamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS/c1-14(15-7-3-2-4-8-15)13-24-20(26)18-19(23-12-11-22-18)21-25-16-9-5-6-10-17(16)27-21/h2-12,14H,13H2,1H3,(H,24,26)/t14-/m1/s1