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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-butylcarbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-butylcarbamimidothioate Traditional Name: 3-butyl-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:

CCCCN=C(N)SCC1=CC(=O)OC2=CC(=C(C=C12)C)C

Isomeric SMILES

CCCCN=C(N)SCC1=CC(=O)OC2=CC(=C(C=C12)C)C

InChI

InChI=1S/C17H22N2O2S/c1-4-5-6-19-17(18)22-10-13-9-16(20)21-15-8-12(3)11(2)7-14(13)15/h7-9H,4-6,10H2,1-3H3,(H2,18,19)