5-bromanyl-N-[5-[(3-methoxyphenyl)methyl-oxidanyl-amino]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[5-[(3-methoxyphenyl)methyl-oxidanyl-amino]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[4-[hydroxy-[(3-methoxyphenyl)methyl]amino]-1-(hydroxymethyl)-4-oxo-butyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[1-hydroxy-5-[hydroxy-[(3-methoxyphenyl)methyl]amino]-5-oxopentan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[1-hydroxy-5-[hydroxy-[(3-methoxyphenyl)methyl]amino]-5-oxopentan-2-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[4-[hydroxy(m-anisyl)amino]-4-keto-1-methylol-butyl]thiophene-2-carboxamide Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(=O)CCC(CO)NC(=O)C2=CC=C(S2)Br)O

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)CCC(CO)NC(=O)C2=CC=C(S2)Br)O

InChI

InChI=1S/C18H21BrN2O5S/c1-26-14-4-2-3-12(9-14)10-21(25)17(23)8-5-13(11-22)20-18(24)15-6-7-16(19)27-15/h2-4,6-7,9,13,22,25H,5,8,10-11H2,1H3,(H,20,24)