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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-3-[(2-methoxyphenyl)methyl]isothiourea CAS Name: N'-[(2-methoxyphenyl)methyl]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)methyl]carbamimidothioate Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-3-o-anisyl-isothiourea Formula: C23H26N2O3S MolecularWeight: 410.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NCC3=CC=CC=C3OC)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NCC3=CC=CC=C3OC)N)C(C)C

InChI

InChI=1S/C23H26N2O3S/c1-14(2)18-11-19-17(10-22(26)28-21(19)9-15(18)3)13-29-23(24)25-12-16-7-5-6-8-20(16)27-4/h5-11,14H,12-13H2,1-4H3,(H2,24,25)