(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-3-(m-tolyl)isothiourea Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C20H20N2O2S/c1-12-5-4-6-16(7-12)22-20(21)25-11-15-10-19(23)24-18-9-14(3)13(2)8-17(15)18/h4-10H,11H2,1-3H3,(H2,21,22)