N,N-diethyl-4-[(S)-piperazin-1-yl-[3-(thiophen-3-ylmethylamino)phenyl]methyl]benzamide

Systemtic Name: N,N-diethyl-4-[(S)-piperazin-1-yl-[3-(thiophen-3-ylmethylamino)phenyl]methyl]benzamide Openeye Name: N,N-diethyl-4-[(S)-piperazin-1-yl-[3-(3-thienylmethylamino)phenyl]methyl]benzamide CAS Name: N,N-diethyl-4-[(S)-1-piperazinyl-[3-(3-thiophenylmethylamino)phenyl]methyl]benzamide IUPAC Name: N,N-diethyl-4-[(S)-piperazin-1-yl-[3-(thiophen-3-ylmethylamino)phenyl]methyl]benzamide Traditional Name: N,N-diethyl-4-[(S)-piperazino-[3-(3-thenylamino)phenyl]methyl]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)NCC3=CSC=C3)N4CCNCC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)NCC3=CSC=C3)N4CCNCC4

InChI

InChI=1S/C27H34N4OS/c1-3-30(4-2)27(32)23-10-8-22(9-11-23)26(31-15-13-28-14-16-31)24-6-5-7-25(18-24)29-19-21-12-17-33-20-21/h5-12,17-18,20,26,28-29H,3-4,13-16,19H2,1-2H3/t26-/m0/s1