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

Systemtic Name: 1-(1-adamantyl)-1-methyl-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-(1-adamantyl)-1-methyl-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-(1-adamantyl)-1-methyl-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-(1-adamantyl)-1-methyl-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-(1-adamantyl)-3-(2-keto-4-methyl-chromen-7-yl)-1-methyl-thiourea Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S/c1-13-5-20(25)26-19-9-17(3-4-18(13)19)23-21(27)24(2)22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,6-8,10-12H2,1-2H3,(H,23,27)