(2S)-N-(4-dimethylaminophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(4-dimethylaminophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Openeye Name: (2S)-N-(4-dimethylaminophenyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(4-dimethylaminophenyl)-2-[4-(3-thiophenylmethyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(4-dimethylaminophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Traditional Name: (2S)-N-(4-dimethylaminophenyl)-2-[4-(3-thenyl)piperazino]propionamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C20H28N4OS/c1-16(20(25)21-18-4-6-19(7-5-18)22(2)3)24-11-9-23(10-12-24)14-17-8-13-26-15-17/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,21,25)/t16-/m0/s1