N-phenyl-N'-[4-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]benzenecarboximidamide hydrochloride

Systemtic Name: N-phenyl-N'-[4-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]benzenecarboximidamide hydrochloride Openeye Name: N-phenyl-N'-[4-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]benzamidine hydrochloride CAS Name: N-phenyl-N'-[4-[2-(1-pyrrolidinyl)ethylthio]phenyl]benzenecarboximidamide hydrochloride IUPAC Name: N-phenyl-N'-[4-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]benzenecarboximidamide hydrochloride Traditional Name: N-phenyl-N'-[4-(2-pyrrolidinoethylthio)phenyl]benzamidine hydrochloride Formula: C25H28ClN3S MolecularWeight: 438.02792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=CC=C(C=C2)N=C(C3=CC=CC=C3)NC4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(C1)CCSC2=CC=C(C=C2)N=C(C3=CC=CC=C3)NC4=CC=CC=C4.Cl

InChI

InChI=1S/C25H27N3S.ClH/c1-3-9-21(10-4-1)25(26-22-11-5-2-6-12-22)27-23-13-15-24(16-14-23)29-20-19-28-17-7-8-18-28;/h1-6,9-16H,7-8,17-20H2,(H,26,27);1H