methyl 4-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[(1S)-isochroman-1-yl]methylcarbamothioylamino]benzoate CAS Name: 4-[[[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylcarbamothioylamino]benzoate Traditional Name: 4-[[(1S)-isochroman-1-yl]methylthiocarbamoylamino]benzoic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC[C@@H]2C3=CC=CC=C3CCO2

InChI

InChI=1S/C19H20N2O3S/c1-23-18(22)14-6-8-15(9-7-14)21-19(25)20-12-17-16-5-3-2-4-13(16)10-11-24-17/h2-9,17H,10-12H2,1H3,(H2,20,21,25)/t17-/m1/s1