N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[[3-(aminomethyl)benzyl]-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=CC(=C2)CN)CC3=CC=CC=C3NC(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC(=C2)CN)CC3=CC=CC=C3NC(=O)C4=CC=CS4

InChI

InChI=1S/C27H31N3O2S/c28-17-20-8-6-9-21(16-20)18-30(27(32)22-10-2-1-3-11-22)19-23-12-4-5-13-24(23)29-26(31)25-14-7-15-33-25/h4-9,12-16,22H,1-3,10-11,17-19,28H2,(H,29,31)