N'-(4-aminophenyl)sulfonyl-3-[[5-(piperidin-2-ylmethyl)thiophen-3-yl]methylsulfanyl]propanimidamide

Systemtic Name: N'-(4-aminophenyl)sulfonyl-3-[[5-(piperidin-2-ylmethyl)thiophen-3-yl]methylsulfanyl]propanimidamide Openeye Name: N'-(4-aminophenyl)sulfonyl-3-[[5-(2-piperidylmethyl)-3-thienyl]methylsulfanyl]propanamidine CAS Name: N'-(4-aminophenyl)sulfonyl-3-[[5-(2-piperidinylmethyl)-3-thiophenyl]methylthio]propanimidamide IUPAC Name: N'-(4-aminophenyl)sulfonyl-3-[[5-(piperidin-2-ylmethyl)thiophen-3-yl]methylsulfanyl]propanimidamide Traditional Name: 3-[[5-(2-piperidylmethyl)-3-thienyl]methylthio]-N'-sulfanilyl-propionamidine Formula: C20H28N4O2S3 MolecularWeight: 452.65692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)CC2=CC(=CS2)CSCCC(=NS(=O)(=O)C3=CC=C(C=C3)N)N

Isomeric SMILES

C1CCNC(C1)CC2=CC(=CS2)CSCC/C(=N\S(=O)(=O)C3=CC=C(C=C3)N)/N

InChI

InChI=1S/C20H28N4O2S3/c21-16-4-6-19(7-5-16)29(25,26)24-20(22)8-10-27-13-15-11-18(28-14-15)12-17-3-1-2-9-23-17/h4-7,11,14,17,23H,1-3,8-10,12-13,21H2,(H2,22,24)