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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 3-(3,4-dimethylphenyl)-2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(3,4-dimethylphenyl)carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 3-(3,4-dimethylphenyl)-2-[(2-keto-7-methoxy-chromen-4-yl)methyl]isothiourea Formula: C20H20N2O3S MolecularWeight: 368.4494

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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(=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C

InChI

InChI=1S/C20H20N2O3S/c1-12-4-5-15(8-13(12)2)22-20(21)26-11-14-9-19(23)25-18-10-16(24-3)6-7-17(14)18/h4-10H,11H2,1-3H3,(H2,21,22)