N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]azepane-1-carbothioamide

Systemtic Name: N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]azepane-1-carbothioamide Openeye Name: N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]azepane-1-carbothioamide CAS Name: N-[(1-methyl-2-pyrrolyl)-diphenylphosphoranylidene]-1-azepanecarbothioamide IUPAC Name: N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]azepane-1-carbothioamide Traditional Name: N-[(1-methylpyrrol-2-yl)-diphenyl-phosphoranylidene]azepane-1-carbothioamide Formula: C24H28N3PS MolecularWeight: 421.537981

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1P(=NC(=S)N2CCCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1P(=NC(=S)N2CCCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N3PS/c1-26-18-12-17-23(26)28(21-13-6-4-7-14-21,22-15-8-5-9-16-22)25-24(29)27-19-10-2-3-11-20-27/h4-9,12-18H,2-3,10-11,19-20H2,1H3