5-(azepan-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-thiophene-2-carboxamide

Systemtic Name: 5-(azepan-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-thiophene-2-carboxamide Openeye Name: 5-(azepan-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-thiophene-2-carboxamide CAS Name: 5-(1-azepanyl)-N-[2-(4-ethyl-1-piperazinyl)ethyl]-4-phenyl-2-thiophenecarboxamide IUPAC Name: 5-(azepan-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenylthiophene-2-carboxamide Traditional Name: 5-(azepan-1-yl)-N-[2-(4-ethylpiperazino)ethyl]-4-phenyl-thiophene-2-carboxamide Formula: C25H36N4OS MolecularWeight: 440.64454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCNC(=O)C2=CC(=C(S2)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)CCNC(=O)C2=CC(=C(S2)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H36N4OS/c1-2-27-16-18-28(19-17-27)15-12-26-24(30)23-20-22(21-10-6-5-7-11-21)25(31-23)29-13-8-3-4-9-14-29/h5-7,10-11,20H,2-4,8-9,12-19H2,1H3,(H,26,30)