1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-morpholin-4-iumyl)ethyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ium-4-ylethyl)-1-(2-thenyl)thiourea Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H25N3O3S2/c27-20(21-5-6-22-7-9-24-10-8-22)23(15-17-2-1-13-28-17)16-3-4-18-19(14-16)26-12-11-25-18/h1-4,13-14H,5-12,15H2,(H,21,27)/p+1