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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(2-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-3-(2-methoxyphenyl)isothiourea CAS Name: N'-(2-methoxyphenyl)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-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-3-(2-methoxyphenyl)isothiourea Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC3=CC=CC=C3OC)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC3=CC=CC=C3OC)N)C(C)C

InChI

InChI=1S/C22H24N2O3S/c1-13(2)16-11-17-15(10-21(25)27-20(17)9-14(16)3)12-28-22(23)24-18-7-5-6-8-19(18)26-4/h5-11,13H,12H2,1-4H3,(H2,23,24)