3-(2,5-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(2,5-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(2,5-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2,5-dimethylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2,5-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2,5-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thenyl)thiourea Formula: C21H30N3OS2+ MolecularWeight: 404.6124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3OS2/c1-17-6-7-18(2)20(15-17)22-21(26)24(16-19-5-3-14-27-19)9-4-8-23-10-12-25-13-11-23/h3,5-7,14-15H,4,8-13,16H2,1-2H3,(H,22,26)/p+1