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

Systemtic Name: N-[(2S)-butan-2-yl]-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(2S)-butan-2-yl]-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-[(2S)-butan-2-yl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbothioamide Formula: C22H30N3S+ MolecularWeight: 368.5587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3S/c1-3-18(2)23-22(26)25-16-14-24(15-17-25)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1