(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(4-methoxyphenyl)carbamimidothioate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-3-(4-methoxyphenyl)isothiourea CAS Name: N'-(4-methoxyphenyl)carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-3-(4-methoxyphenyl)isothiourea Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NC3=CC=C(C=C3)OC)N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=NC3=CC=C(C=C3)OC)N)C

InChI

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