2-[[3-[[[2-(3-azanylpropoxy)-5-(1-benzothiophen-2-yl)phenyl]methylamino]methyl]phenyl]methyl]guanidine

Systemtic Name: 2-[[3-[[[2-(3-azanylpropoxy)-5-(1-benzothiophen-2-yl)phenyl]methylamino]methyl]phenyl]methyl]guanidine Openeye Name: 2-[[3-[[[2-(3-aminopropoxy)-5-(benzothiophen-2-yl)phenyl]methylamino]methyl]phenyl]methyl]guanidine CAS Name: 2-[[3-[[[2-(3-aminopropoxy)-5-(1-benzothiophen-2-yl)phenyl]methylamino]methyl]phenyl]methyl]guanidine IUPAC Name: 2-[[3-[[[2-(3-aminopropoxy)-5-(1-benzothiophen-2-yl)phenyl]methylamino]methyl]phenyl]methyl]guanidine Traditional Name: 2-[3-[[[2-(3-aminopropoxy)-5-(benzothiophen-2-yl)benzyl]amino]methyl]benzyl]guanidine Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=CC(=C(C=C3)OCCCN)CNCC4=CC=CC(=C4)CN=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=CC(=C(C=C3)OCCCN)CNCC4=CC=CC(=C4)CN=C(N)N

InChI

InChI=1S/C27H31N5OS/c28-11-4-12-33-24-10-9-22(26-15-21-7-1-2-8-25(21)34-26)14-23(24)18-31-16-19-5-3-6-20(13-19)17-32-27(29)30/h1-3,5-10,13-15,31H,4,11-12,16-18,28H2,(H4,29,30,32)