4-(diphenylmethyl)-N-[(2S)-1-methoxypropan-2-yl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-[(2S)-1-methoxypropan-2-yl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-[(1S)-2-methoxy-1-methyl-ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-[(2S)-1-methoxypropan-2-yl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-[(1S)-2-methoxy-1-methyl-ethyl]piperazin-4-ium-1-carbothioamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](COC)NC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-18(17-26-2)23-22(27)25-15-13-24(14-16-25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,23,27)/p+1/t18-/m0/s1