(2S)-N-(4-propan-2-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(4-propan-2-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-[4-(2-thienylmethyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(4-propan-2-ylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(4-propan-2-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Traditional Name: (2S)-N-p-cumenyl-2-[4-(2-thenyl)piperazino]propionamide Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3OS/c1-16(2)18-6-8-19(9-7-18)22-21(25)17(3)24-12-10-23(11-13-24)15-20-5-4-14-26-20/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,22,25)/t17-/m0/s1