(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-3-(3,4-dimethylphenyl)isothiourea CAS Name: N'-(3,4-dimethylphenyl)carbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 3-(3,4-dimethylphenyl)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C

InChI

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