N-(triphenylmethyl)azepane-1-carbothioamide

Systemtic Name: N-(triphenylmethyl)azepane-1-carbothioamide Openeye Name: N-tritylazepane-1-carbothioamide CAS Name: N-(triphenylmethyl)-1-azepanecarbothioamide IUPAC Name: N-tritylazepane-1-carbothioamide Traditional Name: N-tritylazepane-1-carbothioamide Formula: C26H28N2S MolecularWeight: 400.57892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2S/c29-25(28-20-12-1-2-13-21-28)27-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2,(H,27,29)