N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[(9-ethylcarbazol-3-yl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(9-ethyl-3-carbazolyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[[(9-ethylcarbazol-3-yl)thio]methyl]-2-keto-ethyl]acetamide Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)NC(=O)C)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)NC(=O)C)C5=CC=CC=C51

InChI

InChI=1S/C30H33N3O4S/c1-5-33-26-9-7-6-8-23(26)24-16-22(10-11-27(24)33)38-18-25(31-19(2)34)30(35)32-13-12-20-14-28(36-3)29(37-4)15-21(20)17-32/h6-11,14-16,25H,5,12-13,17-18H2,1-4H3,(H,31,34)/t25-/m1/s1