N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-methoxy-benzamide

Systemtic Name: N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-methoxy-benzamide Openeye Name: N-[(1S,2R)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-methoxy-benzamide CAS Name: N-[(1R,2S)-1-(4-ethyl-1-piperazinyl)-1-thiophen-2-ylpropan-2-yl]-3-methoxybenzamide IUPAC Name: N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methoxybenzamide Traditional Name: N-[(1S,2R)-2-(4-ethylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-3-methoxy-benzamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN1CCN(CC1)[C@@H](C2=CC=CS2)[C@H](C)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H29N3O2S/c1-4-23-10-12-24(13-11-23)20(19-9-6-14-27-19)16(2)22-21(25)17-7-5-8-18(15-17)26-3/h5-9,14-16,20H,4,10-13H2,1-3H3,(H,22,25)/t16-,20+/m0/s1