5-chloranyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-2-methoxy-benzamide

Systemtic Name: 5-chloranyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-2-methoxy-benzamide Openeye Name: 5-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-2-methoxy-benzamide CAS Name: 5-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide IUPAC Name: 5-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide Traditional Name: 5-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-2-methoxy-benzamide Formula: C23H23ClN2O2S MolecularWeight: 426.95892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NCC(C2=CC=CS2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NC[C@@H](C2=CC=CS2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23ClN2O2S/c1-28-21-9-8-18(24)13-19(21)23(27)25-14-20(22-7-4-12-29-22)26-11-10-16-5-2-3-6-17(16)15-26/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,25,27)/t20-/m0/s1