N-[C-(4-methylphenyl)-N-(phenylmethyl)carbonimidoyl]azepane-1-carbothioamide

Systemtic Name: N-[C-(4-methylphenyl)-N-(phenylmethyl)carbonimidoyl]azepane-1-carbothioamide Openeye Name: N-[N-benzyl-C-(p-tolyl)carbonimidoyl]azepane-1-carbothioamide CAS Name: N-[(4-methylphenyl)-(phenylmethyl)iminomethyl]-1-azepanecarbothioamide IUPAC Name: N-[N-benzyl-C-(4-methylphenyl)carbonimidoyl]azepane-1-carbothioamide Traditional Name: N-[N-benzyl-C-(p-tolyl)carbonimidoyl]azepane-1-carbothioamide Formula: C22H27N3S MolecularWeight: 365.53488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NCC2=CC=CC=C2)NC(=S)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=NCC2=CC=CC=C2)NC(=S)N3CCCCCC3

InChI

InChI=1S/C22H27N3S/c1-18-11-13-20(14-12-18)21(23-17-19-9-5-4-6-10-19)24-22(26)25-15-7-2-3-8-16-25/h4-6,9-14H,2-3,7-8,15-17H2,1H3,(H,23,24,26)