N-(4-bromophenyl)-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]thiophene-2-carboxamide

Systemtic Name: N-(4-bromophenyl)-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]thiophene-2-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-N-(4-bromophenyl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(4-bromophenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-2-thiophenecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-N-(4-bromophenyl)-5-nitro-thiophene-2-carboxamide Formula: C23H22BrN3O3S MolecularWeight: 500.40808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(C2=CC=C(C=C2)Br)C(=O)C3=CC=C(S3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N(C2=CC=C(C=C2)Br)C(=O)C3=CC=C(S3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H22BrN3O3S/c24-18-6-8-19(9-7-18)26(23(28)21-10-11-22(31-21)27(29)30)20-12-14-25(15-13-20)16-17-4-2-1-3-5-17/h1-11,20H,12-16H2