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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-cyclopentyl-isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-cyclopentyl-isothiourea Formula: C17H19ClN2O2S MolecularWeight: 350.86296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC3CCCC3)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC3CCCC3)N)Cl

InChI

InChI=1S/C17H19ClN2O2S/c1-10-6-15-13(8-14(10)18)11(7-16(21)22-15)9-23-17(19)20-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H2,19,20)