4-[(1R,2S)-2-azanyl-1,2-diphenyl-ethyl]-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1R,2S)-2-azanyl-1,2-diphenyl-ethyl]-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[(1R,2S)-2-amino-1,2-diphenyl-ethyl]-N-benzyl-piperazine-1-carbothioamide CAS Name: 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzylpiperazine-1-carbothioamide Traditional Name: 4-[(1R,2S)-2-amino-1,2-diphenyl-ethyl]-N-benzyl-piperazine-1-carbothioamide Formula: C26H30N4S MolecularWeight: 430.6082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C(C3=CC=CC=C3)N)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1[C@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4S/c27-24(22-12-6-2-7-13-22)25(23-14-8-3-9-15-23)29-16-18-30(19-17-29)26(31)28-20-21-10-4-1-5-11-21/h1-15,24-25H,16-20,27H2,(H,28,31)/t24-,25+/m0/s1