(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,5-dimethylphenyl)-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(2,5-dimethylphenyl)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'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,5-dimethylphenyl)-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]isothiourea Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S/c1-13(2)18-11-19-17(10-22(26)27-21(19)9-16(18)5)12-28-23(24)25-20-8-14(3)6-7-15(20)4/h6-11,13H,12H2,1-5H3,(H2,24,25)