N-(4-iodophenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-(4-iodophenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(4-iodophenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-(4-iodophenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(4-iodophenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-(4-iodophenyl)-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C18H20IN3OS MolecularWeight: 453.34037

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C18H20IN3OS/c1-24-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3,(H,20,23)