1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H29N3O3S2/c1-14-4-3-5-18(15(14)2)21-19(26)20-16-6-8-17(9-7-16)27(23,24)22-10-12-25-13-11-22/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H2,20,21,26)/t14-,15+,18-/m0/s1