(NE)-N-[(4-methylphenyl)-phenylazanyl-methylidene]azepane-1-carbothioamide

Systemtic Name: (NE)-N-[(4-methylphenyl)-phenylazanyl-methylidene]azepane-1-carbothioamide Openeye Name: (NE)-N-[anilino(p-tolyl)methylene]azepane-1-carbothioamide CAS Name: (NE)-N-[anilino-(4-methylphenyl)methylidene]-1-azepanecarbothioamide IUPAC Name: (NE)-N-[anilino-(4-methylphenyl)methylidene]azepane-1-carbothioamide Traditional Name: (NE)-N-[anilino(p-tolyl)methylene]azepane-1-carbothioamide Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NC(=S)N2CCCCCC2)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N\C(=S)N2CCCCCC2)/NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3S/c1-17-11-13-18(14-12-17)20(22-19-9-5-4-6-10-19)23-21(25)24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-16H2,1H3,(H,22,23,25)