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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-isobutyl-isothiourea Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NCC(C)C)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NCC(C)C)N

InChI

InChI=1S/C17H22N2O2S/c1-4-12-5-6-14-13(8-16(20)21-15(14)7-12)10-22-17(18)19-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19)