N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1,3-benzothiazole-2-carboxamide CAS Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-1,3-benzothiazole-2-carboxamide Formula: C19H19N4OS2+ MolecularWeight: 383.51036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4OS2/c1-11(2)23-8-7-12-13(9-20)18(26-16(12)10-23)22-17(24)19-21-14-5-3-4-6-15(14)25-19/h3-6,11H,7-8,10H2,1-2H3,(H,22,24)/p+1