2-[4-[[2-(3-azanylpropoxy)-5-(1-benzothiophen-2-yl)phenyl]methylamino]butyl]guanidine

Systemtic Name: 2-[4-[[2-(3-azanylpropoxy)-5-(1-benzothiophen-2-yl)phenyl]methylamino]butyl]guanidine Openeye Name: 2-[4-[[2-(3-aminopropoxy)-5-(benzothiophen-2-yl)phenyl]methylamino]butyl]guanidine CAS Name: 2-[4-[[2-(3-aminopropoxy)-5-(1-benzothiophen-2-yl)phenyl]methylamino]butyl]guanidine IUPAC Name: 2-[4-[[2-(3-aminopropoxy)-5-(1-benzothiophen-2-yl)phenyl]methylamino]butyl]guanidine Traditional Name: 2-[4-[[2-(3-aminopropoxy)-5-(benzothiophen-2-yl)benzyl]amino]butyl]guanidine Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=CC(=C(C=C3)OCCCN)CNCCCCN=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=CC(=C(C=C3)OCCCN)CNCCCCN=C(N)N

InChI

InChI=1S/C23H31N5OS/c24-10-5-13-29-20-9-8-18(22-15-17-6-1-2-7-21(17)30-22)14-19(20)16-27-11-3-4-12-28-23(25)26/h1-2,6-9,14-15,27H,3-5,10-13,16,24H2,(H4,25,26,28)