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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 3-isobutyl-2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 3-isobutyl-2-[(2-keto-7-methoxy-chromen-4-yl)methyl]isothiourea Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-10(2)8-18-16(17)22-9-11-6-15(19)21-14-7-12(20-3)4-5-13(11)14/h4-7,10H,8-9H2,1-3H3,(H2,17,18)