4-(2-methylpropyl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,4-diazepan-5-one

Systemtic Name: 4-(2-methylpropyl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,4-diazepan-5-one Openeye Name: 4-isobutyl-1-[(E)-3-(2-thienyl)prop-2-enoyl]-1,4-diazepan-5-one CAS Name: 4-(2-methylpropyl)-1-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1,4-diazepan-5-one IUPAC Name: 4-(2-methylpropyl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,4-diazepan-5-one Traditional Name: 4-isobutyl-1-[(E)-3-(2-thienyl)acryloyl]-1,4-diazepan-5-one Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CCC1=O)C(=O)C=CC2=CC=CS2

Isomeric SMILES

CC(C)CN1CCN(CCC1=O)C(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C16H22N2O2S/c1-13(2)12-18-10-9-17(8-7-16(18)20)15(19)6-5-14-4-3-11-21-14/h3-6,11,13H,7-10,12H2,1-2H3/b6-5+