(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-3-(m-tolyl)isothiourea Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C22H24N2O2S/c1-13(2)18-11-19-16(10-21(25)26-20(19)9-15(18)4)12-27-22(23)24-17-7-5-6-14(3)8-17/h5-11,13H,12H2,1-4H3,(H2,23,24)