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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3OS/c1-15-7-8-17(13-18(15)21)22-20(26)23-19(16-5-3-2-4-6-16)14-24-9-11-25-12-10-24/h2-8,13,19H,9-12,14H2,1H3,(H2,22,23,26)/p+1/t19-/m1/s1