(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2R)-butan-2-yl]carbamimidothioate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2R)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-[(1R)-1-methylpropyl]isothiourea CAS Name: N'-[(2R)-butan-2-yl]carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-[(2R)-butan-2-yl]carbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-[(1R)-1-methylpropyl]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(=NC(C)CC)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=N[C@H](C)CC)N

InChI

InChI=1S/C17H22N2O2S/c1-4-11(3)19-17(18)22-10-13-9-16(20)21-15-8-12(5-2)6-7-14(13)15/h6-9,11H,4-5,10H2,1-3H3,(H2,18,19)/t11-/m1/s1