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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea CAS Name: 1-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Traditional Name: 1-(3,4-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=C(C=C1)NC(=S)NNC(=S)NCC[NH+]2CCOCC2)C

Isomeric SMILES

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

InChI

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