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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-(4-methoxyphenyl)isothiourea CAS Name: N'-(4-methoxyphenyl)carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-(4-methoxyphenyl)isothiourea Formula: C20H20N2O3S MolecularWeight: 368.4494

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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)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-3-13-4-9-17-14(11-19(23)25-18(17)10-13)12-26-20(21)22-15-5-7-16(24-2)8-6-15/h4-11H,3,12H2,1-2H3,(H2,21,22)