(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NCCC(C)C)N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NCCC(C)C)N)C

InChI

InChI=1S/C18H24N2O2S/c1-11(2)5-6-20-18(19)23-10-14-9-17(21)22-16-8-13(4)12(3)7-15(14)16/h7-9,11H,5-6,10H2,1-4H3,(H2,19,20)