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

Systemtic Name: 5-(azepan-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-thiophene-2-carboxamide Openeye Name: 5-(azepan-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-thiophene-2-carboxamide CAS Name: 5-(1-azepanyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-4-phenyl-2-thiophenecarboxamide IUPAC Name: 5-(azepan-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenylthiophene-2-carboxamide Traditional Name: 5-(azepan-1-yl)-N-[2-(4-methylpiperazino)ethyl]-4-phenyl-thiophene-2-carboxamide Formula: C24H34N4OS MolecularWeight: 426.61796

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNC(=O)C2=CC(=C(S2)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCNC(=O)C2=CC(=C(S2)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H34N4OS/c1-26-15-17-27(18-16-26)14-11-25-23(29)22-19-21(20-9-5-4-6-10-20)24(30-22)28-12-7-2-3-8-13-28/h4-6,9-10,19H,2-3,7-8,11-18H2,1H3,(H,25,29)