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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-(4-ethoxyphenyl)isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-3-p-phenetyl-isothiourea Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C21H22N2O3S/c1-4-25-17-7-5-16(6-8-17)23-21(22)27-12-15-11-20(24)26-19-10-14(3)13(2)9-18(15)19/h5-11H,4,12H2,1-3H3,(H2,22,23)