N-[2-[[3-(aminomethyl)phenyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide

Systemtic Name: N-[2-[[3-(aminomethyl)phenyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide Openeye Name: N-[2-[[3-(aminomethyl)phenyl]methyl]-1-oxo-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide CAS Name: N-[2-[[3-(aminomethyl)phenyl]methyl]-1-oxo-3H-isoindol-4-yl]-5-chloro-2-thiophenecarboxamide IUPAC Name: N-[2-[[3-(aminomethyl)phenyl]methyl]-1-oxo-3H-isoindol-4-yl]-5-chlorothiophene-2-carboxamide Traditional Name: N-[2-[3-(aminomethyl)benzyl]-1-keto-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC(=CC=C4)CN

Isomeric SMILES

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC(=CC=C4)CN

InChI

InChI=1S/C21H18ClN3O2S/c22-19-8-7-18(28-19)20(26)24-17-6-2-5-15-16(17)12-25(21(15)27)11-14-4-1-3-13(9-14)10-23/h1-9H,10-12,23H2,(H,24,26)