N'-[3-[[bis(3-phenylpropyl)amino]methyl]-4-methylsulfanyl-phenyl]thiophene-2-carboximidamide

Systemtic Name: N'-[3-[[bis(3-phenylpropyl)amino]methyl]-4-methylsulfanyl-phenyl]thiophene-2-carboximidamide Openeye Name: N'-[3-[[bis(3-phenylpropyl)amino]methyl]-4-methylsulfanyl-phenyl]thiophene-2-carboxamidine CAS Name: N'-[3-[[bis(3-phenylpropyl)amino]methyl]-4-(methylthio)phenyl]-2-thiophenecarboximidamide IUPAC Name: N'-[3-[[bis(3-phenylpropyl)amino]methyl]-4-methylsulfanylphenyl]thiophene-2-carboximidamide Traditional Name: N'-[3-[[bis(3-phenylpropyl)amino]methyl]-4-(methylthio)phenyl]thiophene-2-carboxamidine Formula: C31H35N3S2 MolecularWeight: 513.7597

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)N=C(C2=CC=CS2)N)CN(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=C(C=C1)N=C(C2=CC=CS2)N)CN(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C31H35N3S2/c1-35-29-19-18-28(33-31(32)30-17-10-22-36-30)23-27(29)24-34(20-8-15-25-11-4-2-5-12-25)21-9-16-26-13-6-3-7-14-26/h2-7,10-14,17-19,22-23H,8-9,15-16,20-21,24H2,1H3,(H2,32,33)