N-(1,3-benzodioxol-5-yl)-1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]isonipecotamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H22N4O4S/c22-12-15-6-10-30-21(15)24-19(26)5-9-25-7-3-14(4-8-25)20(27)23-16-1-2-17-18(11-16)29-13-28-17/h1-2,6,10-11,14H,3-5,7-9,13H2,(H,23,27)(H,24,26)