1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-1-oxopentyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]pentanoyl]isonipecotamide Formula: C24H31BrN4O3S MolecularWeight: 535.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C24H31BrN4O3S/c1-4-5-20(23(32)29-12-10-17(11-13-29)21(26)30)33-24-27-15(2)19(22(31)28(24)3)14-16-6-8-18(25)9-7-16/h6-9,17,20H,4-5,10-14H2,1-3H3,(H2,26,30)