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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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