N-[(E)-3-(azepan-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-3-bromanyl-benzamide

Systemtic Name: N-[(E)-3-(azepan-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-3-bromanyl-benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(2-thienyl)vinyl]-3-bromo-benzamide CAS Name: N-[(E)-3-(1-azepanyl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-bromobenzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-bromobenzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(2-thienyl)vinyl]-3-bromo-benzamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=CS2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O2S/c21-16-8-5-7-15(13-16)19(24)22-18(14-17-9-6-12-26-17)20(25)23-10-3-1-2-4-11-23/h5-9,12-14H,1-4,10-11H2,(H,22,24)/b18-14+