(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 3-[(1R)-1,5-dimethylhexyl]-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-[(2R)-6-methylheptan-2-yl]carbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 3-[(1R)-1,5-dimethylhexyl]-2-[(3-ketobenzo[f]chromen-1-yl)methyl]isothiourea Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N=C(N)SCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](CCCC(C)C)N=C(N)SCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C23H28N2O2S/c1-15(2)7-6-8-16(3)25-23(24)28-14-18-13-21(26)27-20-12-11-17-9-4-5-10-19(17)22(18)20/h4-5,9-13,15-16H,6-8,14H2,1-3H3,(H2,24,25)/t16-/m1/s1