4-[(5-chloranylthiophen-2-yl)methyl]-N1-(3-methoxyphenyl)-N2-(phenylmethyl)piperazine-1,2-dicarboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N1-(3-methoxyphenyl)-N2-(phenylmethyl)piperazine-1,2-dicarboxamide Openeye Name: N2-benzyl-4-[(5-chloro-2-thienyl)methyl]-N1-(3-methoxyphenyl)piperazine-1,2-dicarboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N1-(3-methoxyphenyl)-N2-(phenylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 2-N-benzyl-4-[(5-chlorothiophen-2-yl)methyl]-1-N-(3-methoxyphenyl)piperazine-1,2-dicarboxamide Traditional Name: N'-benzyl-4-[(5-chloro-2-thienyl)methyl]-N-(3-methoxyphenyl)piperazine-1,2-dicarboxamide Formula: C25H27ClN4O3S MolecularWeight: 499.02488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2C(=O)NCC3=CC=CC=C3)CC4=CC=C(S4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2C(=O)NCC3=CC=CC=C3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C25H27ClN4O3S/c1-33-20-9-5-8-19(14-20)28-25(32)30-13-12-29(16-21-10-11-23(26)34-21)17-22(30)24(31)27-15-18-6-3-2-4-7-18/h2-11,14,22H,12-13,15-17H2,1H3,(H,27,31)(H,28,32)