1-(4-butylphenyl)-3-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(4-chloro-3-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(4-chloro-3-morpholinosulfonyl-phenyl)thiourea Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26ClN3O3S2/c1-2-3-4-16-5-7-17(8-6-16)23-21(29)24-18-9-10-19(22)20(15-18)30(26,27)25-11-13-28-14-12-25/h5-10,15H,2-4,11-14H2,1H3,(H2,23,24,29)