(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-[(2-keto-7-methoxy-chromen-4-yl)methyl]isothiourea Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

Isomeric SMILES

CC(C)CCN=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

InChI

InChI=1S/C17H22N2O3S/c1-11(2)6-7-19-17(18)23-10-12-8-16(20)22-15-9-13(21-3)4-5-14(12)15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,18,19)