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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 3-cyclopentyl-2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 3-cyclopentyl-2-[(7-ethyl-2-keto-chromen-4-yl)methyl]isothiourea Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3CCCC3)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3CCCC3)N

InChI

InChI=1S/C18H22N2O2S/c1-2-12-7-8-15-13(10-17(21)22-16(15)9-12)11-23-18(19)20-14-5-3-4-6-14/h7-10,14H,2-6,11H2,1H3,(H2,19,20)