N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-1-(2-thenoyl)isonipecotamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H26N4O3S/c27-20-15-26(12-9-23-20)18-5-3-16(4-6-18)14-24-21(28)17-7-10-25(11-8-17)22(29)19-2-1-13-30-19/h1-6,13,17H,7-12,14-15H2,(H,23,27)(H,24,28)