N-[2-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[(4-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=CS3)C4CCC(CC4)N

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=CS3)C4CCC(CC4)N

InChI

InChI=1S/C22H27N3O2S/c23-17-9-11-18(12-10-17)25(22(27)15-7-8-15)14-16-4-1-2-5-19(16)24-21(26)20-6-3-13-28-20/h1-6,13,15,17-18H,7-12,14,23H2,(H,24,26)