N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-(2-thienylmethyl)piperazine-1-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]-4-(thiophen-2-ylmethyl)-1-piperazinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-3-methyl-phenyl]-4-(2-thenyl)piperazine-1-carboxamide Formula: C23H33N5OS MolecularWeight: 427.60602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)N3CCN(CC3)CC4=CC=CS4)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)N3CCN(CC3)CC4=CC=CS4)C

InChI

InChI=1S/C23H33N5OS/c1-3-25-8-12-27(13-9-25)22-7-6-20(17-19(22)2)24-23(29)28-14-10-26(11-15-28)18-21-5-4-16-30-21/h4-7,16-17H,3,8-15,18H2,1-2H3,(H,24,29)