(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-(2,5-dimethylphenyl)isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,5-dimethylphenyl)-2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-12-5-6-13(2)18(7-12)23-21(22)26-11-16-10-20(24)25-19-9-15(4)14(3)8-17(16)19/h5-10H,11H2,1-4H3,(H2,22,23)