N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-phenyl-propanamide

Systemtic Name: N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-phenyl-propanamide Openeye Name: N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-3-phenyl-N-sec-butyl-propanamide CAS Name: N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenylpropanamide IUPAC Name: N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenylpropanamide Traditional Name: N-[2-[(4-fluorobenzyl)-(2-thenyl)amino]-2-keto-ethyl]-3-phenyl-N-sec-butyl-propionamide Formula: C27H31FN2O2S MolecularWeight: 466.610643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CS2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CS2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H31FN2O2S/c1-3-21(2)30(26(31)16-13-22-8-5-4-6-9-22)20-27(32)29(19-25-10-7-17-33-25)18-23-11-14-24(28)15-12-23/h4-12,14-15,17,21H,3,13,16,18-20H2,1-2H3