1-(2,6-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiourea CAS Name: 1-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)thiourea Formula: C17H28N5OS2+ MolecularWeight: 382.56712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H27N5OS2/c1-13-5-3-6-14(2)15(13)19-17(25)21-20-16(24)18-7-4-8-22-9-11-23-12-10-22/h3,5-6H,4,7-12H2,1-2H3,(H2,18,20,24)(H2,19,21,25)/p+1