N-[[3-[3-azanyl-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-azanylcyclohexyl)thiophene-2-carboxamide

Systemtic Name: N-[[3-[3-azanyl-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-azanylcyclohexyl)thiophene-2-carboxamide Openeye Name: N-[[3-[3-amino-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-aminocyclohexyl)thiophene-2-carboxamide CAS Name: N-[[3-[3-amino-4-(1-azepanyl)phenyl]phenyl]methyl]-N-(4-aminocyclohexyl)-2-thiophenecarboxamide IUPAC Name: N-[[3-[3-amino-4-(azepan-1-yl)phenyl]phenyl]methyl]-N-(4-aminocyclohexyl)thiophene-2-carboxamide Traditional Name: N-[3-[3-amino-4-(azepan-1-yl)phenyl]benzyl]-N-(4-aminocyclohexyl)thiophene-2-carboxamide Formula: C30H38N4OS MolecularWeight: 502.71392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5=CC=CS5)N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5=CC=CS5)N

InChI

InChI=1S/C30H38N4OS/c31-25-11-13-26(14-12-25)34(30(35)29-9-6-18-36-29)21-22-7-5-8-23(19-22)24-10-15-28(27(32)20-24)33-16-3-1-2-4-17-33/h5-10,15,18-20,25-26H,1-4,11-14,16-17,21,31-32H2