S-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] N,N-dimethylcarbamothioate

Systemtic Name: S-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] N,N-dimethylcarbamothioate Openeye Name: S-(3-benzyl-4-methyl-2-oxo-chromen-7-yl) N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]] ester IUPAC Name: S-(3-benzyl-4-methyl-2-oxochromen-7-yl) N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-(3-benzyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)SC(=O)N(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)SC(=O)N(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H19NO3S/c1-13-16-10-9-15(25-20(23)21(2)3)12-18(16)24-19(22)17(13)11-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3