N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxo-ethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-butylamino]-2-oxoethyl]-N-(3-ethoxypropyl)-2-thiophenecarboxamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-butyl-amino]-2-keto-ethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide Formula: C28H36BrN3O3S MolecularWeight: 574.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCCOCC)C(=O)C3=CC=CS3

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCCOCC)C(=O)C3=CC=CS3

InChI

InChI=1S/C28H36BrN3O3S/c1-3-5-15-31(21-25-9-6-16-30(25)20-23-11-13-24(29)14-12-23)27(33)22-32(17-8-18-35-4-2)28(34)26-10-7-19-36-26/h6-7,9-14,16,19H,3-5,8,15,17-18,20-22H2,1-2H3