N'-[3-[(4-oxidanylbutylamino)methyl]-4-pentan-3-yloxy-phenyl]thiophene-2-carboximidamide

Systemtic Name: N'-[3-[(4-oxidanylbutylamino)methyl]-4-pentan-3-yloxy-phenyl]thiophene-2-carboximidamide Openeye Name: N'-[4-(1-ethylpropoxy)-3-[(4-hydroxybutylamino)methyl]phenyl]thiophene-2-carboxamidine CAS Name: N'-[3-[(4-hydroxybutylamino)methyl]-4-pentan-3-yloxyphenyl]-2-thiophenecarboximidamide IUPAC Name: N'-[3-[(4-hydroxybutylamino)methyl]-4-pentan-3-yloxyphenyl]thiophene-2-carboximidamide Traditional Name: N'-[4-(1-ethylpropoxy)-3-[(4-hydroxybutylamino)methyl]phenyl]thiophene-2-carboxamidine Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=C(C=C1)N=C(C2=CC=CS2)N)CNCCCCO

Isomeric SMILES

CCC(CC)OC1=C(C=C(C=C1)N=C(C2=CC=CS2)N)CNCCCCO

InChI

InChI=1S/C21H31N3O2S/c1-3-18(4-2)26-19-10-9-17(24-21(22)20-8-7-13-27-20)14-16(19)15-23-11-5-6-12-25/h7-10,13-14,18,23,25H,3-6,11-12,15H2,1-2H3,(H2,22,24)