1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O5S2/c1-14(15-2-7-18-19(12-15)29-13-28-18)22-23-20(30)21-16-3-5-17(6-4-16)31(25,26)24-8-10-27-11-9-24/h2-7,12H,8-11,13H2,1H3,(H2,21,23,30)/b22-14+