3-bromanyl-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

Systemtic Name: 3-bromanyl-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-3-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 3-bromo-N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-3-bromo-N-(2-pyrrolidinoethyl)benzamide Formula: C28H32BrN3O2S MolecularWeight: 554.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC=CC=C2)C(=O)CN(CCN3CCCC3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC=CC=C2)C(=O)CN(CCN3CCCC3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H32BrN3O2S/c1-22-12-17-35-26(22)20-32(19-23-8-3-2-4-9-23)27(33)21-31(16-15-30-13-5-6-14-30)28(34)24-10-7-11-25(29)18-24/h2-4,7-12,17-18H,5-6,13-16,19-21H2,1H3