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

Systemtic Name: 3-(2,3-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(2,3-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2,3-dimethylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2,3-dimethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2,3-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=C(C(=CC=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3)C

Isomeric SMILES

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

InChI

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