5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-[2-(2-thienyl)ethyl]benzothiophene-2-carboxamide CAS Name: 5-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-N-[2-(2-thienyl)ethyl]benzothiophene-2-carboxamide Formula: C27H23N5OS2 MolecularWeight: 497.63442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)NCC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)NCC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H23N5OS2/c28-14-19-3-5-20(6-4-19)17-32-18-29-15-23(32)16-31-22-7-8-25-21(12-22)13-26(35-25)27(33)30-10-9-24-2-1-11-34-24/h1-8,11-13,15,18,31H,9-10,16-17H2,(H,30,33)