O-[[(3S)-6-chloranyl-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] carbamothioate

Systemtic Name: O-[[(3S)-6-chloranyl-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] carbamothioate Openeye Name: O-[[(3S)-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] carbamothioate CAS Name: carbamothioic acid O-[[(3S)-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] ester IUPAC Name: O-[[(3S)-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid O-[[(3S)-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] ester Formula: C12H15ClN2OS MolecularWeight: 270.7783

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(CC1COC(=S)N)C=C(C=C2)Cl

Isomeric SMILES

CN1CC2=C(C[C@H]1COC(=S)N)C=C(C=C2)Cl

InChI

InChI=1S/C12H15ClN2OS/c1-15-6-8-2-3-10(13)4-9(8)5-11(15)7-16-12(14)17/h2-4,11H,5-7H2,1H3,(H2,14,17)/t11-/m0/s1