1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea

Systemtic Name: 1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-2-17-8-10-19(11-9-17)22-21(26)23-20(18-6-4-3-5-7-18)16-24-12-14-25-15-13-24/h3-11,20H,2,12-16H2,1H3,(H2,22,23,26)/p+1/t20-/m1/s1