1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-(2-chloro-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(E)-piperonylideneamino]thiourea Formula: C19H19ClN4O5S2 MolecularWeight: 482.96096

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O5S2/c20-15-3-2-14(31(25,26)24-5-7-27-8-6-24)10-16(15)22-19(30)23-21-11-13-1-4-17-18(9-13)29-12-28-17/h1-4,9-11H,5-8,12H2,(H2,22,23,30)/b21-11+