(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-phenylcarbamimidothioate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-phenyl-isothiourea Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC=C3)N

InChI

InChI=1S/C18H16N2O3S/c1-22-14-7-8-15-12(9-17(21)23-16(15)10-14)11-24-18(19)20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,20)