N-[(2S)-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C26H28FN3O3S MolecularWeight: 481.582223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4)F

InChI

InChI=1S/C26H28FN3O3S/c1-33-23-10-9-20(16-21(23)27)18-29-11-13-30(14-12-29)26(32)22(17-19-6-3-2-4-7-19)28-25(31)24-8-5-15-34-24/h2-10,15-16,22H,11-14,17-18H2,1H3,(H,28,31)/t22-/m0/s1