(3S)-1-[2-(1-benzothiophen-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-4-yl]-N-prop-2-enyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-(1-benzothiophen-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-4-yl]-N-prop-2-enyl-piperidine-3-carboxamide Openeye Name: (3S)-N-allyl-1-[2-(benzothiophen-2-ylmethyl)-1,3-dioxo-isoindolin-4-yl]piperidine-3-carboxamide CAS Name: (3S)-1-[2-(1-benzothiophen-2-ylmethyl)-1,3-dioxo-4-isoindolyl]-N-prop-2-enyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(1-benzothiophen-2-ylmethyl)-1,3-dioxoisoindol-4-yl]-N-prop-2-enylpiperidine-3-carboxamide Traditional Name: (3S)-N-allyl-1-[2-(benzothiophen-2-ylmethyl)-1,3-diketo-isoindolin-4-yl]nipecotamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C=CCNC(=O)[C@H]1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O3S/c1-2-12-27-24(30)18-8-6-13-28(15-18)21-10-5-9-20-23(21)26(32)29(25(20)31)16-19-14-17-7-3-4-11-22(17)33-19/h2-5,7,9-11,14,18H,1,6,8,12-13,15-16H2,(H,27,30)/t18-/m0/s1