4-[2-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]-N-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]-N-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-(3-chloro-4-sulfanyl-phenyl)prop-2-enoyl]-N-methyl-piperazine-1-carboxamide CAS Name: 4-[2-(3-chloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-N-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(3-chloro-4-sulfanylphenyl)prop-2-enoyl]-N-methylpiperazine-1-carboxamide Traditional Name: 4-[2-(3-chloro-4-mercapto-phenyl)acryloyl]-N-methyl-piperazine-1-carboxamide Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)Cl

Isomeric SMILES

CNC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)Cl

InChI

InChI=1S/C15H18ClN3O2S/c1-10(11-3-4-13(22)12(16)9-11)14(20)18-5-7-19(8-6-18)15(21)17-2/h3-4,9,22H,1,5-8H2,2H3,(H,17,21)