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

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H26N4O2S/c1-14-6-22(29)30-20-10-18(2-3-19(14)20)25-23(31)26-21-4-5-28(27-21)24-11-15-7-16(12-24)9-17(8-15)13-24/h2-6,10,15-17H,7-9,11-13H2,1H3,(H2,25,26,27,31)