(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(phenylmethyl)carbamimidothioate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[(7-ethyl-2-keto-chromen-4-yl)methyl]isothiourea Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NCC3=CC=CC=C3)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NCC3=CC=CC=C3)N

InChI

InChI=1S/C20H20N2O2S/c1-2-14-8-9-17-16(11-19(23)24-18(17)10-14)13-25-20(21)22-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H2,21,22)