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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(piperonyloylamino)thiourea Formula: C19H19ClN4O6S2 MolecularWeight: 498.96036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O6S2/c20-14-3-2-13(32(26,27)24-5-7-28-8-6-24)10-15(14)21-19(31)23-22-18(25)12-1-4-16-17(9-12)30-11-29-16/h1-4,9-10H,5-8,11H2,(H,22,25)(H2,21,23,31)