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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea CAS Name: 1-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)thiourea Formula: C16H26N5OS2+ MolecularWeight: 368.54054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5OS2/c1-12-4-3-5-14(13(12)2)18-16(24)20-19-15(23)17-6-7-21-8-10-22-11-9-21/h3-5H,6-11H2,1-2H3,(H2,17,19,23)(H2,18,20,24)/p+1