N-[1,3-bis(oxidanylidene)-2-[(3-pyridin-3-ylphenyl)methyl]isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide

Systemtic Name: N-[1,3-bis(oxidanylidene)-2-[(3-pyridin-3-ylphenyl)methyl]isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide Openeye Name: 5-chloro-N-[1,3-dioxo-2-[[3-(3-pyridyl)phenyl]methyl]isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[1,3-dioxo-2-[[3-(3-pyridinyl)phenyl]methyl]-4-isoindolyl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[1,3-dioxo-2-[(3-pyridin-3-ylphenyl)methyl]isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[1,3-diketo-2-[3-(3-pyridyl)benzyl]isoindolin-4-yl]thiophene-2-carboxamide Formula: C25H16ClN3O3S MolecularWeight: 473.93084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C25H16ClN3O3S/c26-21-10-9-20(33-21)23(30)28-19-8-2-7-18-22(19)25(32)29(24(18)31)14-15-4-1-5-16(12-15)17-6-3-11-27-13-17/h1-13H,14H2,(H,28,30)