1-(3-chloranyl-2-methyl-phenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[(1S,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea Formula: C22H30ClN4S+ MolecularWeight: 418.0184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC(C)C(C2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N[C@H](C)[C@H](C2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29ClN4S/c1-16-19(23)10-7-11-20(16)25-22(28)24-17(2)21(18-8-5-4-6-9-18)27-14-12-26(3)13-15-27/h4-11,17,21H,12-15H2,1-3H3,(H2,24,25,28)/p+1/t17-,21-/m1/s1