1-(4-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-(4-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(4-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-benzyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-(p-tolyl)thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3OS/c1-19-8-10-21(11-9-19)25(18-20-6-3-2-4-7-20)22(27)23-12-5-13-24-14-16-26-17-15-24/h2-4,6-11H,5,12-18H2,1H3,(H,23,27)/p+1