N-[4-(azepan-1-yl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-thenoyl)piperazino]acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N4O2S/c28-22(18-25-13-15-27(16-14-25)23(29)21-6-5-17-30-21)24-19-7-9-20(10-8-19)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16,18H2,(H,24,28)