5-(azepan-1-ylmethyl)-N-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-(azepan-1-ylmethyl)-N-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]thiophene-2-carboxamide Openeye Name: 5-(azepan-1-ylmethyl)-N-[(1S)-1-benzyl-2-(benzylamino)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-(1-azepanylmethyl)-N-[(2S)-1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-(azepan-1-ylmethyl)-N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-(azepan-1-ylmethyl)-N-[(1S)-1-benzyl-2-(benzylamino)-2-keto-ethyl]thiophene-2-carboxamide Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(S2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(S2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O2S/c32-27(29-20-23-13-7-4-8-14-23)25(19-22-11-5-3-6-12-22)30-28(33)26-16-15-24(34-26)21-31-17-9-1-2-10-18-31/h3-8,11-16,25H,1-2,9-10,17-21H2,(H,29,32)(H,30,33)/t25-/m0/s1