5-bromanyl-N-[1-[3-methyl-4-(2-oxidanylidene-1,3-oxazepan-3-yl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[1-[3-methyl-4-(2-oxidanylidene-1,3-oxazepan-3-yl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[1-[3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)phenyl]-5-oxo-pyrrolidin-3-yl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[1-[3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)phenyl]-5-oxo-3-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[1-[3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)phenyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[5-keto-1-[4-(2-keto-1,3-oxazepan-3-yl)-3-methyl-phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)NC(=O)C3=CC=C(S3)Br)N4CCCCOC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)NC(=O)C3=CC=C(S3)Br)N4CCCCOC4=O

InChI

InChI=1S/C21H22BrN3O4S/c1-13-10-15(4-5-16(13)24-8-2-3-9-29-21(24)28)25-12-14(11-19(25)26)23-20(27)17-6-7-18(22)30-17/h4-7,10,14H,2-3,8-9,11-12H2,1H3,(H,23,27)