1-(3,5-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea CAS Name: 1-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)thiourea Formula: C16H26N5OS2+ MolecularWeight: 368.54054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5OS2/c1-12-9-13(2)11-14(10-12)18-16(24)20-19-15(23)17-3-4-21-5-7-22-8-6-21/h9-11H,3-8H2,1-2H3,(H2,17,19,23)(H2,18,20,24)/p+1