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

Systemtic Name: 4-bromanyl-N-[(3R)-1-[3-methyl-4-(3-oxidanylidene-1,4-oxazepan-4-yl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide Openeye Name: 4-bromo-N-[(3R)-1-[3-methyl-4-(3-oxo-1,4-oxazepan-4-yl)phenyl]-5-oxo-pyrrolidin-3-yl]thiophene-2-carboxamide CAS Name: 4-bromo-N-[(3R)-1-[3-methyl-4-(3-oxo-1,4-oxazepan-4-yl)phenyl]-5-oxo-3-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: 4-bromo-N-[(3R)-1-[3-methyl-4-(3-oxo-1,4-oxazepan-4-yl)phenyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide Traditional Name: 4-bromo-N-[(3R)-5-keto-1-[4-(3-keto-1,4-oxazepan-4-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(=CS3)Br)N4CCCOCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2C[C@@H](CC2=O)NC(=O)C3=CC(=CS3)Br)N4CCCOCC4=O

InChI

InChI=1S/C21H22BrN3O4S/c1-13-7-16(3-4-17(13)24-5-2-6-29-11-20(24)27)25-10-15(9-19(25)26)23-21(28)18-8-14(22)12-30-18/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3,(H,23,28)/t15-/m1/s1