(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-methylcarbamimidothioate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-methylcarbamimidothioate Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl N'-methylcarbamimidothioate Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-3-methyl-isothiourea Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC)N)C(C)C

InChI

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