(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-phenethylcarbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2S/c24-23(25-13-12-16-6-2-1-3-7-16)28-15-18-14-21(26)27-20-11-10-17-8-4-5-9-19(17)22(18)20/h1-11,14H,12-13,15H2,(H2,24,25)