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

Systemtic Name: 1-[1-(1-adamantyl)ethyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[1-(1-adamantyl)ethyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[1-(1-adamantyl)ethyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[1-(1-adamantyl)ethyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[1-(1-adamantyl)ethyl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2O2S/c1-13-5-21(26)27-20-9-18(3-4-19(13)20)25-22(28)24-14(2)23-10-15-6-16(11-23)8-17(7-15)12-23/h3-5,9,14-17H,6-8,10-12H2,1-2H3,(H2,24,25,28)