1-(1,4-dithiepan-6-yl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(1,4-dithiepan-6-yl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(1,4-dithiepan-6-yl)-N-(4-thiazol-4-ylphenyl)piperidine-3-carboxamide CAS Name: 1-(1,4-dithiepan-6-yl)-N-[4-(4-thiazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(1,4-dithiepan-6-yl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(1,4-dithiepan-6-yl)-N-(4-thiazol-4-ylphenyl)nipecotamide Formula: C20H25N3OS3 MolecularWeight: 419.627

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CSCCSC2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

Isomeric SMILES

C1CC(CN(C1)C2CSCCSC2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

InChI

InChI=1S/C20H25N3OS3/c24-20(22-17-5-3-15(4-6-17)19-13-27-14-21-19)16-2-1-7-23(10-16)18-11-25-8-9-26-12-18/h3-6,13-14,16,18H,1-2,7-12H2,(H,22,24)