(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-propan-2-ylcarbamimidothioate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-propan-2-ylcarbamimidothioate Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-3-isopropyl-isothiourea CAS Name: N'-propan-2-ylcarbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-propan-2-ylcarbamimidothioate Traditional Name: 3-isopropyl-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C16H20N2O2S MolecularWeight: 304.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=NC(C)C)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=NC(C)C)N)C

InChI

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