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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea Formula: C18H18ClN3O5S2 MolecularWeight: 455.93562

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18ClN3O5S2/c19-14-3-2-13(29(23,24)22-5-7-25-8-6-22)10-15(14)21-18(28)20-12-1-4-16-17(9-12)27-11-26-16/h1-4,9-10H,5-8,11H2,(H2,20,21,28)