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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-(4-ethoxyphenyl)isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-p-phenetyl-isothiourea Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3S/c1-3-25-15-6-4-14(5-7-15)23-20(22)27-11-13-9-19(24)26-18-8-12(2)17(21)10-16(13)18/h4-10H,3,11H2,1-2H3,(H2,22,23)