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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate Openeye Name: 3-(3-methoxyphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-(3-methoxyphenyl)carbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(3-ketobenzo[f]chromen-1-yl)methyl]-3-(3-methoxyphenyl)isothiourea Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1)N=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H18N2O3S/c1-26-17-7-4-6-16(12-17)24-22(23)28-13-15-11-20(25)27-19-10-9-14-5-2-3-8-18(14)21(15)19/h2-12H,13H2,1H3,(H2,23,24)