N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-thiophen-3-ylethanoyl)piperazine-1-carboximidamide

Systemtic Name: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-thiophen-3-ylethanoyl)piperazine-1-carboximidamide Openeye Name: N-cyano-N'-(o-tolyl)-3-phenyl-4-[2-(3-thienyl)acetyl]piperazine-1-carboxamidine CAS Name: N-cyano-N'-(2-methylphenyl)-4-[1-oxo-2-(3-thiophenyl)ethyl]-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-thiophen-3-ylacetyl)piperazine-1-carboximidamide Traditional Name: N-cyano-N'-(o-tolyl)-3-phenyl-4-[2-(3-thienyl)acetyl]piperazine-1-carboxamidine Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CSC=C4

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CSC=C4

InChI

InChI=1S/C25H25N5OS/c1-19-7-5-6-10-22(19)28-25(27-18-26)29-12-13-30(24(31)15-20-11-14-32-17-20)23(16-29)21-8-3-2-4-9-21/h2-11,14,17,23H,12-13,15-16H2,1H3,(H,27,28)