N-[di(piperidin-1-yl)-(2-propylindazol-3-yl)-$l^{5}-phosphanylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[di(piperidin-1-yl)-(2-propylindazol-3-yl)-$l^{5}-phosphanylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[bis(1-piperidyl)-(2-propylindazol-3-yl)-$l^{5}-phosphanylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[bis(1-piperidinyl)-(2-propyl-3-indazolyl)phosphoranylidene]-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[di(piperidin-1-yl)-(2-propylindazol-3-yl)-$l^{5}-phosphanylidene]-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-[dipiperidino-(2-propylindazol-3-yl)phosphoranylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide Formula: C27H45N7PS+ MolecularWeight: 530.731861

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C2C=CC=CC2=N1)P(=NC(=S)N3CC[NH+](CC3)CC)(N4CCCCC4)N5CCCCC5

Isomeric SMILES

CCCN1C(=C2C=CC=CC2=N1)P(=NC(=S)N3CC[NH+](CC3)CC)(N4CCCCC4)N5CCCCC5

InChI

InChI=1S/C27H44N7PS/c1-3-15-34-26(24-13-7-8-14-25(24)28-34)35(32-16-9-5-10-17-32,33-18-11-6-12-19-33)29-27(36)31-22-20-30(4-2)21-23-31/h7-8,13-14H,3-6,9-12,15-23H2,1-2H3/p+1