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

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(3-thenyl)piperazino]propionamide Formula: C19H24BrN3OS MolecularWeight: 422.38236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC3=CSC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)N2CCN(CC2)CC3=CSC=C3)Br

InChI

InChI=1S/C19H24BrN3OS/c1-14-3-4-18(17(20)11-14)21-19(24)15(2)23-8-6-22(7-9-23)12-16-5-10-25-13-16/h3-5,10-11,13,15H,6-9,12H2,1-2H3,(H,21,24)/t15-/m0/s1