N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)C4CC4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)C4CC4

InChI

InChI=1S/C22H27N3O2S/c23-18-7-1-2-8-19(18)25(22(27)16-10-11-16)14-15-5-3-6-17(13-15)24-21(26)20-9-4-12-28-20/h3-6,9,12-13,16,18-19H,1-2,7-8,10-11,14,23H2,(H,24,26)