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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(4-chlorophenyl)-2-[(2-keto-7-methoxy-chromen-4-yl)methyl]isothiourea Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H15ClN2O3S/c1-23-14-6-7-15-11(8-17(22)24-16(15)9-14)10-25-18(20)21-13-4-2-12(19)3-5-13/h2-9H,10H2,1H3,(H2,20,21)