N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-N-phenyl-1-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-N-phenyl-1-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 3-hydroxy-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-1-(thiazol-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 3-hydroxy-N-methyl-2-(1-oxido-2-pyridin-1-iumyl)-N-phenyl-1-(2-thiazolylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 3-hydroxy-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-1-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 3-hydroxy-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-1-(thiazol-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3N(C(C2O)C4=CC=CC=[N+]4[O-])CC5=NC=CS5

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3N(C(C2O)C4=CC=CC=[N+]4[O-])CC5=NC=CS5

InChI

InChI=1S/C27H24N4O3S/c1-29(20-10-3-2-4-11-20)27(33)21-17-19-9-5-6-12-22(19)30(18-24-28-14-16-35-24)25(26(21)32)23-13-7-8-15-31(23)34/h2-17,25-26,32H,18H2,1H3