(2S)-N-(3-chloranyl-2-methyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(3-chloranyl-2-methyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(3-chloro-2-methyl-phenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(3-chloro-2-methylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(3-chloro-2-methylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide Traditional Name: (2S)-N-(3-chloro-2-methyl-phenyl)-2-[4-(2-thenoyl)piperazino]propionamide Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H22ClN3O2S/c1-13-15(20)5-3-6-16(13)21-18(24)14(2)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h3-7,12,14H,8-11H2,1-2H3,(H,21,24)/t14-/m0/s1