1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(2S,6S)-2,6-dimethyl-1-piperidyl]thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[(2S,6S)-2,6-dimethyl-1-piperidinyl]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(2S,6S)-2,6-dimethylpiperidino]thiourea Formula: C18H27ClN4O3S2 MolecularWeight: 447.01498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

InChI

InChI=1S/C18H27ClN4O3S2/c1-13-4-3-5-14(2)23(13)21-18(27)20-17-12-15(6-7-16(17)19)28(24,25)22-8-10-26-11-9-22/h6-7,12-14H,3-5,8-11H2,1-2H3,(H2,20,21,27)/t13-,14-/m0/s1