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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 3-[(1R)-1,5-dimethylhexyl]-2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-[(2R)-6-methylheptan-2-yl]carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 3-[(1R)-1,5-dimethylhexyl]-2-[(7-ethyl-2-keto-chromen-4-yl)methyl]isothiourea Formula: C21H30N2O2S MolecularWeight: 374.5401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC(C)CCCC(C)C)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=N[C@H](C)CCCC(C)C)N

InChI

InChI=1S/C21H30N2O2S/c1-5-16-9-10-18-17(12-20(24)25-19(18)11-16)13-26-21(22)23-15(4)8-6-7-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3,(H2,22,23)/t15-/m1/s1