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

Systemtic Name: N-[2-[[3-[(aminocarbonylamino)methyl]phenyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide Openeye Name: 5-chloro-N-[1-oxo-2-[[3-(ureidomethyl)phenyl]methyl]isoindolin-4-yl]thiophene-2-carboxamide CAS Name: N-[2-[[3-[(carbamoylamino)methyl]phenyl]methyl]-1-oxo-3H-isoindol-4-yl]-5-chloro-2-thiophenecarboxamide IUPAC Name: N-[2-[[3-[(carbamoylamino)methyl]phenyl]methyl]-1-oxo-3H-isoindol-4-yl]-5-chlorothiophene-2-carboxamide Traditional Name: 5-chloro-N-[1-keto-2-[3-(ureidomethyl)benzyl]isoindolin-4-yl]thiophene-2-carboxamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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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)CNC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3S/c23-19-8-7-18(31-19)20(28)26-17-6-2-5-15-16(17)12-27(21(15)29)11-14-4-1-3-13(9-14)10-25-22(24)30/h1-9H,10-12H2,(H,26,28)(H3,24,25,30)