(2S)-N-(2,6-dimethylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(2-thenoyl)piperazino]propionamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c1-14-6-4-7-15(2)18(14)21-19(24)16(3)22-9-11-23(12-10-22)20(25)17-8-5-13-26-17/h4-8,13,16H,9-12H2,1-3H3,(H,21,24)/t16-/m0/s1