1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]thiourea Traditional Name: 1-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C20H25N3O4S/c1-12-5-3-4-6-16(12)21-20(28)23-22-18(24)11-26-14-7-8-15-13(2)9-19(25)27-17(15)10-14/h7-10,12,16H,3-6,11H2,1-2H3,(H,22,24)(H2,21,23,28)/t12-,16-/m0/s1