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

Systemtic Name: 5-chloranyl-N-[2-[[4-(isocyanatomethyl)phenyl]methyl]-1,3-bis(oxidanylidene)isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[2-[[4-(isocyanatomethyl)phenyl]methyl]-1,3-dioxo-isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[2-[[4-(isocyanatomethyl)phenyl]methyl]-1,3-dioxo-4-isoindolyl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[2-[[4-(isocyanatomethyl)phenyl]methyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[2-[4-(isocyanatomethyl)benzyl]-1,3-diketo-isoindolin-4-yl]thiophene-2-carboxamide Formula: C22H14ClN3O4S MolecularWeight: 451.88226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=CC=C(S3)Cl)C(=O)N(C2=O)CC4=CC=C(C=C4)CN=C=O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=CC=C(S3)Cl)C(=O)N(C2=O)CC4=CC=C(C=C4)CN=C=O

InChI

InChI=1S/C22H14ClN3O4S/c23-18-9-8-17(31-18)20(28)25-16-3-1-2-15-19(16)22(30)26(21(15)29)11-14-6-4-13(5-7-14)10-24-12-27/h1-9H,10-11H2,(H,25,28)