1-[1-(1-adamantyl)butyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C25H32N2O2S MolecularWeight: 424.59878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC5=C(C=C4)C(=CC(=O)O5)C

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC5=C(C=C4)C(=CC(=O)O5)C

InChI

InChI=1S/C25H32N2O2S/c1-3-4-22(25-12-16-8-17(13-25)10-18(9-16)14-25)27-24(30)26-19-5-6-20-15(2)7-23(28)29-21(20)11-19/h5-7,11,16-18,22H,3-4,8-10,12-14H2,1-2H3,(H2,26,27,30)