1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3)OC1

InChI

InChI=1S/C17H25N3O3S/c24-17(18-5-1-6-20-7-11-21-12-8-20)19-14-3-4-15-16(13-14)23-10-2-9-22-15/h3-4,13H,1-2,5-12H2,(H2,18,19,24)/p+1