1-(1-adamantyl)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-(1-adamantyl)-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C21H28ClN3O3S2 MolecularWeight: 470.04832

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28ClN3O3S2/c22-18-2-1-17(30(26,27)25-3-5-28-6-4-25)10-19(18)23-20(29)24-21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2,(H2,23,24,29)