N-butyl-5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-hexanoyl-amino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-butyl-5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-hexanoyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-butyl-5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-hexanoyl-amino]benzothiophene-2-carboxamide CAS Name: N-butyl-5-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl-(1-oxohexyl)amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-butyl-5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-hexanoylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-butyl-5-[caproyl-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]amino]benzothiophene-2-carboxamide Formula: C31H35N5O2S MolecularWeight: 541.7069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC1=CN=CN1CC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)SC(=C4)C(=O)NCCCC

Isomeric SMILES

CCCCCC(=O)N(CC1=CN=CN1CC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)SC(=C4)C(=O)NCCCC

InChI

InChI=1S/C31H35N5O2S/c1-3-5-7-8-30(37)36(21-27-19-33-22-35(27)20-24-11-9-23(18-32)10-12-24)26-13-14-28-25(16-26)17-29(39-28)31(38)34-15-6-4-2/h9-14,16-17,19,22H,3-8,15,20-21H2,1-2H3,(H,34,38)