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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c23-16(17-4-5-19-6-10-20-11-7-19)18-13-2-3-14-15(12-13)22-9-1-8-21-14/h2-3,12H,1,4-11H2,(H2,17,18,23)/p+1