(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,5-dimethylphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,5-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=CC(=C(C=C1)C)N=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

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