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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-propylcarbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-propyl-isothiourea Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S/c1-3-7-18-16(17)21-10-12-9-15(19)20-14-8-11(4-2)5-6-13(12)14/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,17,18)