(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,6-dimethylphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-(2,6-dimethylphenyl)carbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,6-dimethylphenyl)-2-[(3-ketobenzo[f]chromen-1-yl)methyl]isothiourea Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20N2O2S/c1-14-6-5-7-15(2)22(14)25-23(24)28-13-17-12-20(26)27-19-11-10-16-8-3-4-9-18(16)21(17)19/h3-12H,13H2,1-2H3,(H2,24,25)