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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-[(2-methoxyphenyl)methyl]isothiourea CAS Name: N'-[(2-methoxyphenyl)methyl]carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-o-anisyl-isothiourea Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NCC3=CC=CC=C3OC)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NCC3=CC=CC=C3OC)N

InChI

InChI=1S/C21H22N2O3S/c1-3-14-8-9-17-16(11-20(24)26-19(17)10-14)13-27-21(22)23-12-15-6-4-5-7-18(15)25-2/h4-11H,3,12-13H2,1-2H3,(H2,22,23)