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

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[3-(methylthio)phenyl]thiourea Formula: C18H20ClN3O3S3 MolecularWeight: 458.0177

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H20ClN3O3S3/c1-27-14-4-2-3-13(11-14)20-18(26)21-17-12-15(5-6-16(17)19)28(23,24)22-7-9-25-10-8-22/h2-6,11-12H,7-10H2,1H3,(H2,20,21,26)