1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-piperonyl-thiourea Formula: C19H24N3O3S2+ MolecularWeight: 406.54216

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C19H23N3O3S2/c26-19(20-11-14-3-4-16-17(10-14)25-13-24-16)21-12-15(18-2-1-9-27-18)22-5-7-23-8-6-22/h1-4,9-10,15H,5-8,11-13H2,(H2,20,21,26)/p+1/t15-/m0/s1