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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylbutyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylbutyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylbutyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylbutyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-phenylbutyl]pyrazinamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS/c1-2-15(16-8-4-3-5-9-16)14-25-21(27)19-20(24-13-12-23-19)22-26-17-10-6-7-11-18(17)28-22/h3-13,15H,2,14H2,1H3,(H,25,27)/t15-/m1/s1