N-[4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-[(5-bromo-2-thienyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-[(5-bromo-2-thienyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C21H20BrN3O2S2 MolecularWeight: 490.4364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Br)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Br)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H20BrN3O2S2/c22-19-8-7-17(29-19)14-24-9-11-25(12-10-24)21(27)15-3-5-16(6-4-15)23-20(26)18-2-1-13-28-18/h1-8,13H,9-12,14H2,(H,23,26)