N-[(1R)-3-[2-(5-bromanylthiophen-2-yl)ethylamino]-3-oxidanylidene-1-phenyl-propyl]-2-chloranyl-benzamide

Systemtic Name: N-[(1R)-3-[2-(5-bromanylthiophen-2-yl)ethylamino]-3-oxidanylidene-1-phenyl-propyl]-2-chloranyl-benzamide Openeye Name: N-[(1R)-3-[2-(5-bromo-2-thienyl)ethylamino]-3-oxo-1-phenyl-propyl]-2-chloro-benzamide CAS Name: N-[(1R)-3-[2-(5-bromo-2-thiophenyl)ethylamino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide IUPAC Name: N-[(1R)-3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide Traditional Name: N-[(1R)-3-[2-(5-bromo-2-thienyl)ethylamino]-3-keto-1-phenyl-propyl]-2-chloro-benzamide Formula: C22H20BrClN2O2S MolecularWeight: 491.8284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCCC2=CC=C(S2)Br)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CC(=O)NCCC2=CC=C(S2)Br)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H20BrClN2O2S/c23-20-11-10-16(29-20)12-13-25-21(27)14-19(15-6-2-1-3-7-15)26-22(28)17-8-4-5-9-18(17)24/h1-11,19H,12-14H2,(H,25,27)(H,26,28)/t19-/m1/s1