N-[dimorpholin-4-yl(phenyl)-$l^{5}-phosphanylidene]azepane-1-carbothioamide

Systemtic Name: N-[dimorpholin-4-yl(phenyl)-$l^{5}-phosphanylidene]azepane-1-carbothioamide Openeye Name: N-[dimorpholino(phenyl)-$l^{5}-phosphanylidene]azepane-1-carbothioamide CAS Name: N-[bis(4-morpholinyl)-phenylphosphoranylidene]-1-azepanecarbothioamide IUPAC Name: N-[dimorpholin-4-yl(phenyl)-$l^{5}-phosphanylidene]azepane-1-carbothioamide Traditional Name: N-[dimorpholino(phenyl)phosphoranylidene]azepane-1-carbothioamide Formula: C21H33N4O2PS MolecularWeight: 436.551081

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)N=P(C2=CC=CC=C2)(N3CCOCC3)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=S)N=P(C2=CC=CC=C2)(N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H33N4O2PS/c29-21(23-10-6-1-2-7-11-23)22-28(20-8-4-3-5-9-20,24-12-16-26-17-13-24)25-14-18-27-19-15-25/h3-5,8-9H,1-2,6-7,10-19H2