N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N4O3S/c1-13-10-14(19-24-13)12-20-5-3-6-21(8-7-20)16(22)11-18-17(23)15-4-2-9-25-15/h2,4,9-10H,3,5-8,11-12H2,1H3,(H,18,23)