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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[(3-ketobenzo[f]chromen-1-yl)methyl]isothiourea Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O2S/c23-22(24-13-15-6-2-1-3-7-15)27-14-17-12-20(25)26-19-11-10-16-8-4-5-9-18(16)21(17)19/h1-12H,13-14H2,(H2,23,24)