N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]benzamide Openeye Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[[4-[2-(1-imidazolyl)ethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]benzamide Traditional Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[[4-(2-imidazol-1-ylethyl)piperazino]methyl]benzamide Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C=CN=C2)CC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N

Isomeric SMILES

C1CN(CCN1CCN2C=CN=C2)CC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N

InChI

InChI=1S/C27H30N6OS/c28-24-8-7-23(26-2-1-17-35-26)18-25(24)30-27(34)22-5-3-21(4-6-22)19-32-14-11-31(12-15-32)13-16-33-10-9-29-20-33/h1-10,17-18,20H,11-16,19,28H2,(H,30,34)