3-azanyl-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepan-1-ylcarbonyl)phenyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepan-1-ylcarbonyl)phenyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazinamide Formula: C24H23N7O2S MolecularWeight: 473.55012

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=NC5=CC=CC=C5S4)N

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C24H23N7O2S/c25-21-20(22(32)30-24-29-17-4-1-2-5-19(17)34-24)28-18(14-27-21)15-6-8-16(9-7-15)23(33)31-12-3-10-26-11-13-31/h1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H,29,30,32)