(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-(m-tolyl)isothiourea Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C19H18N2O3S/c1-12-4-3-5-14(8-12)21-19(20)25-11-13-9-18(22)24-17-10-15(23-2)6-7-16(13)17/h3-10H,11H2,1-2H3,(H2,20,21)