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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(4-chlorophenyl)-2-[(7-ethyl-2-keto-chromen-4-yl)methyl]isothiourea Formula: C19H17ClN2O2S MolecularWeight: 372.86848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C19H17ClN2O2S/c1-2-12-3-8-16-13(10-18(23)24-17(16)9-12)11-25-19(21)22-15-6-4-14(20)5-7-15/h3-10H,2,11H2,1H3,(H2,21,22)