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

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-pentan-2-yl-thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(1-methylbutyl)thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-pentan-2-ylthiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-pentan-2-ylthiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(1-methylbutyl)thiourea Formula: C16H24ClN3O3S2 MolecularWeight: 405.96306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O3S2/c1-3-4-12(2)18-16(24)19-15-11-13(5-6-14(15)17)25(21,22)20-7-9-23-10-8-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,18,19,24)