(3S)-1-[1,3-bis(oxidanylidene)-2-(thiophen-3-ylmethyl)isoindol-4-yl]-N-methyl-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[1,3-bis(oxidanylidene)-2-(thiophen-3-ylmethyl)isoindol-4-yl]-N-methyl-N-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[1,3-dioxo-2-(3-thienylmethyl)isoindolin-4-yl]-N-methyl-N-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[1,3-dioxo-2-(3-thiophenylmethyl)-4-isoindolyl]-N-methyl-N-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[1,3-dioxo-2-(thiophen-3-ylmethyl)isoindol-4-yl]-N-methyl-N-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-1-[1,3-diketo-2-(3-thenyl)isoindolin-4-yl]-N-methyl-N-phenethyl-nipecotamide Formula: C28H29N3O3S MolecularWeight: 487.61316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)C2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)[C@H]2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

InChI

InChI=1S/C28H29N3O3S/c1-29(15-12-20-7-3-2-4-8-20)26(32)22-9-6-14-30(18-22)24-11-5-10-23-25(24)28(34)31(27(23)33)17-21-13-16-35-19-21/h2-5,7-8,10-11,13,16,19,22H,6,9,12,14-15,17-18H2,1H3/t22-/m0/s1