N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-propyl-thiophene-2-carboxamide

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-propyl-thiophene-2-carboxamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-propyl-thiophene-2-carboxamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-propyl-2-thiophenecarboxamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-propylthiophene-2-carboxamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-N-propyl-thiophene-2-carboxamide Formula: C28H34BrN3O2S MolecularWeight: 556.55746

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H34BrN3O2S/c1-2-16-31(28(34)26-11-7-18-35-26)21-27(33)32(24-8-4-3-5-9-24)20-25-10-6-17-30(25)19-22-12-14-23(29)15-13-22/h6-7,10-15,17-18,24H,2-5,8-9,16,19-21H2,1H3