4-[4-[2-(3-azanylpyrrolidin-1-yl)-3-(2-oxidanylideneethoxy)phenyl]-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[4-[2-(3-azanylpyrrolidin-1-yl)-3-(2-oxidanylideneethoxy)phenyl]-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[4-[2-(3-aminopyrrolidin-1-yl)-3-(2-oxoethoxy)phenyl]thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[4-[2-(3-amino-1-pyrrolidinyl)-3-(2-oxoethoxy)phenyl]-2-thiazolyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[4-[2-(3-aminopyrrolidin-1-yl)-3-(2-oxoethoxy)phenyl]-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[4-[2-(3-aminopyrrolidino)-3-(2-ketoethoxy)phenyl]thiazol-2-yl]-5-(methylthio)thiophene-2-carboxamidine Formula: C21H23N5O2S3 MolecularWeight: 473.63462

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)C2=NC(=CS2)C3=C(C(=CC=C3)OCC=O)N4CCC(C4)N

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)C2=NC(=CS2)C3=C(C(=CC=C3)OCC=O)N4CCC(C4)N

InChI

InChI=1S/C21H23N5O2S3/c1-29-21-14(9-17(31-21)19(23)24)20-25-15(11-30-20)13-3-2-4-16(28-8-7-27)18(13)26-6-5-12(22)10-26/h2-4,7,9,11-12H,5-6,8,10,22H2,1H3,(H3,23,24)