(1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyanothiophen-3-yl)phenyl]cyclopropane-1-carboxamide

Systemtic Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyanothiophen-3-yl)phenyl]cyclopropane-1-carboxamide Openeye Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyano-3-thienyl)phenyl]cyclopropanecarboxamide CAS Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyano-3-thiophenyl)phenyl]-1-cyclopropanecarboxamide IUPAC Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyanothiophen-3-yl)phenyl]cyclopropane-1-carboxamide Traditional Name: (1R,2S)-2-(3-amidinophenyl)-N-[4-(2-cyano-3-thienyl)phenyl]cyclopropanecarboxamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NC2=CC=C(C=C2)C3=C(SC=C3)C#N)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1[C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C3=C(SC=C3)C#N)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C22H18N4OS/c23-12-20-17(8-9-28-20)13-4-6-16(7-5-13)26-22(27)19-11-18(19)14-2-1-3-15(10-14)21(24)25/h1-10,18-19H,11H2,(H3,24,25)(H,26,27)/t18-,19-/m1/s1