3-[(5-bromanylthiophen-2-yl)carbonylamino]-N-[3-methyl-4-(5-oxidanylidene-1,4-oxazepan-4-yl)phenyl]oxolane-3-carboxamide

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonylamino]-N-[3-methyl-4-(5-oxidanylidene-1,4-oxazepan-4-yl)phenyl]oxolane-3-carboxamide Openeye Name: 3-[(5-bromothiophene-2-carbonyl)amino]-N-[3-methyl-4-(5-oxo-1,4-oxazepan-4-yl)phenyl]tetrahydrofuran-3-carboxamide CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-N-[3-methyl-4-(5-oxo-1,4-oxazepan-4-yl)phenyl]-3-oxolanecarboxamide IUPAC Name: 3-[(5-bromothiophene-2-carbonyl)amino]-N-[3-methyl-4-(5-oxo-1,4-oxazepan-4-yl)phenyl]oxolane-3-carboxamide Traditional Name: 3-[(5-bromothiophene-2-carbonyl)amino]-N-[4-(5-keto-1,4-oxazepan-4-yl)-3-methyl-phenyl]tetrahydrofuran-3-carboxamide Formula: C22H24BrN3O5S MolecularWeight: 522.41206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2(CCOC2)NC(=O)C3=CC=C(S3)Br)N4CCOCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2(CCOC2)NC(=O)C3=CC=C(S3)Br)N4CCOCCC4=O

InChI

InChI=1S/C22H24BrN3O5S/c1-14-12-15(2-3-16(14)26-8-11-30-9-6-19(26)27)24-21(29)22(7-10-31-13-22)25-20(28)17-4-5-18(23)32-17/h2-5,12H,6-11,13H2,1H3,(H,24,29)(H,25,28)