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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-butylcarbamimidothioic 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'-butylcarbamimidothioate Traditional Name: 3-butyl-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]isothiourea Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2S/c1-5-6-7-21-19(20)24-11-14-9-18(22)23-17-8-13(4)15(12(2)3)10-16(14)17/h8-10,12H,5-7,11H2,1-4H3,(H2,20,21)