4-[(3-aminophenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[(3-aminophenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-N,N-diethyl-benzamide Openeye Name: 4-[(3-aminophenyl)-[4-(3-thienylmethyl)piperazin-1-yl]methyl]-N,N-diethyl-benzamide CAS Name: 4-[(3-aminophenyl)-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-N,N-diethylbenzamide IUPAC Name: 4-[(3-aminophenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide Traditional Name: 4-[(3-aminophenyl)-[4-(3-thenyl)piperazino]methyl]-N,N-diethyl-benzamide Formula: C27H34N4OS MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)N)N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)N)N3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C27H34N4OS/c1-3-30(4-2)27(32)23-10-8-22(9-11-23)26(24-6-5-7-25(28)18-24)31-15-13-29(14-16-31)19-21-12-17-33-20-21/h5-12,17-18,20,26H,3-4,13-16,19,28H2,1-2H3