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

Systemtic Name: N-[2-[[4-(2-azanyl-2-azanylidene-ethyl)phenyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide Openeye Name: N-[2-[[4-(2-amino-2-imino-ethyl)phenyl]methyl]-1-oxo-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide CAS Name: N-[2-[[4-(2-amino-2-iminoethyl)phenyl]methyl]-1-oxo-3H-isoindol-4-yl]-5-chloro-2-thiophenecarboxamide IUPAC Name: N-[2-[[4-(2-amino-2-iminoethyl)phenyl]methyl]-1-oxo-3H-isoindol-4-yl]-5-chlorothiophene-2-carboxamide Traditional Name: N-[2-[4-(2-amino-2-imino-ethyl)benzyl]-1-keto-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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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=C(C=C4)CC(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O2S/c23-19-9-8-18(30-19)21(28)26-17-3-1-2-15-16(17)12-27(22(15)29)11-14-6-4-13(5-7-14)10-20(24)25/h1-9H,10-12H2,(H3,24,25)(H,26,28)