N-(4-iodanyl-2-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-iodo-2-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-2-[4-(3-thenyl)piperazino]acetamide Formula: C18H22IN3OS MolecularWeight: 455.35625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CN2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CN2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H22IN3OS/c1-14-10-16(19)2-3-17(14)20-18(23)12-22-7-5-21(6-8-22)11-15-4-9-24-13-15/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,20,23)