4-[(3S)-3-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[(3S)-3-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[(3S)-3-(4-phenylpiperazine-1-carbonyl)-1-piperidyl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[(3S)-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-piperidinyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[(3S)-3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[(3S)-3-(4-phenylpiperazine-1-carbonyl)piperidino]-2-(3-thenyl)isoindoline-1,3-quinone Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CSC=C4)C(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CSC=C4)C(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C29H30N4O3S/c34-27(31-15-13-30(14-16-31)23-7-2-1-3-8-23)22-6-5-12-32(19-22)25-10-4-9-24-26(25)29(36)33(28(24)35)18-21-11-17-37-20-21/h1-4,7-11,17,20,22H,5-6,12-16,18-19H2/t22-/m0/s1