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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-propylcarbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-propyl-isothiourea Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

Isomeric SMILES

CCCN=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

InChI

InChI=1S/C15H18N2O3S/c1-3-6-17-15(16)21-9-10-7-14(18)20-13-8-11(19-2)4-5-12(10)13/h4-5,7-8H,3,6,9H2,1-2H3,(H2,16,17)