1-(3-chloranyl-2-methyl-phenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea CAS Name: 1-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)thiourea Formula: C15H23ClN5OS2+ MolecularWeight: 388.95902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C15H22ClN5OS2/c1-11-12(16)3-2-4-13(11)18-15(24)20-19-14(23)17-5-6-21-7-9-22-10-8-21/h2-4H,5-10H2,1H3,(H2,17,19,23)(H2,18,20,24)/p+1