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

Systemtic Name: N-[(2S)-1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[4-(4-cyanobenzyl)piperazino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H26N4O2S/c27-18-21-8-10-22(11-9-21)19-29-12-14-30(15-13-29)26(32)23(17-20-5-2-1-3-6-20)28-25(31)24-7-4-16-33-24/h1-11,16,23H,12-15,17,19H2,(H,28,31)/t23-/m0/s1