N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-bromanyl-5-methoxy-4-phenylmethoxy-benzamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-bromanyl-5-methoxy-4-phenylmethoxy-benzamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-4-benzyloxy-3-bromo-5-methoxy-benzamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-3-bromo-5-methoxy-4-phenylmethoxybenzamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-bromo-5-methoxy-4-phenylmethoxybenzamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-4-benzoxy-3-bromo-5-methoxy-benzamide Formula: C20H18BrN3O4S MolecularWeight: 476.34362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2=NC(=CS2)CC(=O)N)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2=NC(=CS2)CC(=O)N)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18BrN3O4S/c1-27-16-8-13(19(26)24-20-23-14(11-29-20)9-17(22)25)7-15(21)18(16)28-10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,22,25)(H,23,24,26)