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

Systemtic Name: 1-(1-adamantylmethyl)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-(2-keto-4-methyl-chromen-7-yl)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)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O2S/c1-13-4-20(25)26-19-8-17(2-3-18(13)19)24-21(27)23-12-22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,14-16H,5-7,9-12H2,1H3,(H2,23,24,27)