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

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(1S)-1,4-dimethylpentyl]thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[(2S)-5-methylhexan-2-yl]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(1S)-1,4-dimethylpentyl]thiourea Formula: C18H28ClN3O3S2 MolecularWeight: 434.01622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

InChI

InChI=1S/C18H28ClN3O3S2/c1-13(2)4-5-14(3)20-18(26)21-17-12-15(6-7-16(17)19)27(23,24)22-8-10-25-11-9-22/h6-7,12-14H,4-5,8-11H2,1-3H3,(H2,20,21,26)/t14-/m0/s1