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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 3-isobutyl-2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-10(2)8-19-17(18)22-9-13-7-16(20)21-15-6-12(4)11(3)5-14(13)15/h5-7,10H,8-9H2,1-4H3,(H2,18,19)