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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-3-(3-methoxyphenyl)isothiourea CAS Name: N'-(3-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'-(3-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-3-(3-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=C3)OC)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC3=CC(=CC=C3)OC)N)C(C)C

InChI

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