3-(1,3-benzothiazol-2-yl)-N-[3-[methyl(phenyl)amino]propyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[3-[methyl(phenyl)amino]propyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(N-methylanilino)propyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(N-methylanilino)propyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(N-methylanilino)propyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(N-methylanilino)propyl]pyrazinamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5OS/c1-27(16-8-3-2-4-9-16)15-7-12-25-21(28)19-20(24-14-13-23-19)22-26-17-10-5-6-11-18(17)29-22/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,25,28)