N-[bis(diethylamino)-phenyl-$l^{5}-phosphanylidene]-4-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-[bis(diethylamino)-phenyl-$l^{5}-phosphanylidene]-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-[bis(diethylamino)-phenyl-$l^{5}-phosphanylidene]piperazine-1-carbothioamide CAS Name: N-[bis(diethylamino)-phenylphosphoranylidene]-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-[bis(diethylamino)-phenyl-$l^{5}-phosphanylidene]piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-[bis(diethylamino)-phenyl-phosphoranylidene]piperazine-1-carbothioamide Formula: C26H40N5PS MolecularWeight: 485.668061

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)P(=NC(=S)N1CCN(CC1)CC2=CC=CC=C2)(C3=CC=CC=C3)N(CC)CC

Isomeric SMILES

CCN(CC)P(=NC(=S)N1CCN(CC1)CC2=CC=CC=C2)(C3=CC=CC=C3)N(CC)CC

InChI

InChI=1S/C26H40N5PS/c1-5-30(6-2)32(31(7-3)8-4,25-17-13-10-14-18-25)27-26(33)29-21-19-28(20-22-29)23-24-15-11-9-12-16-24/h9-18H,5-8,19-23H2,1-4H3