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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-butylcarbamimidothioic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl N'-butylcarbamimidothioate Traditional Name: 3-butyl-2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]isothiourea Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O2S/c1-3-4-5-19-16(18)22-9-11-7-15(20)21-14-6-10(2)13(17)8-12(11)14/h6-8H,3-5,9H2,1-2H3,(H2,18,19)