(E)-N-(azepan-1-ylcarbothioyl)-3-(4-chlorophenyl)prop-2-enamide

Systemtic Name: (E)-N-(azepan-1-ylcarbothioyl)-3-(4-chlorophenyl)prop-2-enamide Openeye Name: (E)-N-(azepane-1-carbothioyl)-3-(4-chlorophenyl)prop-2-enamide CAS Name: (E)-N-[1-azepanyl(sulfanylidene)methyl]-3-(4-chlorophenyl)-2-propenamide IUPAC Name: (E)-N-(azepane-1-carbothioyl)-3-(4-chlorophenyl)prop-2-enamide Traditional Name: (E)-N-(azepane-1-carbothioyl)-3-(4-chlorophenyl)acrylamide Formula: C16H19ClN2OS MolecularWeight: 322.85286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H19ClN2OS/c17-14-8-5-13(6-9-14)7-10-15(20)18-16(21)19-11-3-1-2-4-12-19/h5-10H,1-4,11-12H2,(H,18,20,21)/b10-7+