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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-(2,6-dimethylphenyl)isothiourea CAS Name: N'-(2,6-dimethylphenyl)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'-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-(2,6-dimethylphenyl)isothiourea Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2S/c1-11-5-4-6-12(2)19(11)23-20(22)26-10-14-8-18(24)25-17-7-13(3)16(21)9-15(14)17/h4-9H,10H2,1-3H3,(H2,22,23)