1-[[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]thiourea CAS Name: 1-[[[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[[(3S)-5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C19H28N5O3S+ MolecularWeight: 406.52232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NNC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NNC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H27N5O3S/c1-14-2-4-16(5-3-14)24-13-15(12-17(24)25)18(26)21-22-19(28)20-6-7-23-8-10-27-11-9-23/h2-5,15H,6-13H2,1H3,(H,21,26)(H2,20,22,28)/p+1/t15-/m0/s1