(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(3,5-dimethylphenyl)-2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(3,5-dimethylphenyl)carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-(3,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(3,5-dimethylphenyl)-2-[(7-ethyl-2-keto-chromen-4-yl)methyl]isothiourea Formula: C21H22N2O2S MolecularWeight: 366.47658

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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)C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-4-15-5-6-18-16(11-20(24)25-19(18)10-15)12-26-21(22)23-17-8-13(2)7-14(3)9-17/h5-11H,4,12H2,1-3H3,(H2,22,23)