methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)phenyl]acetate CAS Name: 2-[4-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)phenyl]acetate Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)phenyl]acetic acid methyl ester Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H20N2O2S/c1-23-18(22)12-14-6-8-17(9-7-14)20-19(24)21-11-10-15-4-2-3-5-16(15)13-21/h2-9H,10-13H2,1H3,(H,20,24)