1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N/N=C/C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N4O5S2/c25-31(26,24-7-9-27-10-8-24)17-4-2-16(3-5-17)22-20(30)23-21-14-15-1-6-18-19(13-15)29-12-11-28-18/h1-6,13-14H,7-12H2,(H2,22,23,30)/b21-14+