(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-(m-tolyl)isothiourea Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC(=C3)C)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC(=C3)C)N

InChI

InChI=1S/C20H20N2O2S/c1-3-14-7-8-17-15(11-19(23)24-18(17)10-14)12-25-20(21)22-16-6-4-5-13(2)9-16/h4-11H,3,12H2,1-2H3,(H2,21,22)