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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 3-[(1R)-1,5-dimethylhexyl]-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-[(2R)-6-methylheptan-2-yl]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'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 3-[(1R)-1,5-dimethylhexyl]-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]isothiourea Formula: C23H34N2O2S MolecularWeight: 402.59326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC(C)CCCC(C)C)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=N[C@H](C)CCCC(C)C)N)C(C)C

InChI

InChI=1S/C23H34N2O2S/c1-14(2)8-7-9-17(6)25-23(24)28-13-18-11-22(26)27-21-10-16(5)19(15(3)4)12-20(18)21/h10-12,14-15,17H,7-9,13H2,1-6H3,(H2,24,25)/t17-/m1/s1