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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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