N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide Formula: C25H27ClN2O3S MolecularWeight: 471.01148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCC3=CC(=C(C=C3[C@H]2C4=CC=CS4)OC)OC)C

InChI

InChI=1S/C25H27ClN2O3S/c1-15-10-16(2)24(19(26)11-15)27-23(29)14-28-8-7-17-12-20(30-3)21(31-4)13-18(17)25(28)22-6-5-9-32-22/h5-6,9-13,25H,7-8,14H2,1-4H3,(H,27,29)/t25-/m0/s1