3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]pyrazinamide Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)N5CCCC5

InChI

InChI=1S/C25H25N5O2S/c1-32-18-10-8-17(9-11-18)20(30-14-4-5-15-30)16-28-24(31)22-23(27-13-12-26-22)25-29-19-6-2-3-7-21(19)33-25/h2-3,6-13,20H,4-5,14-16H2,1H3,(H,28,31)/t20-/m0/s1