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

Systemtic Name: 4-[4-[3-[2-(3-azanylpyrrolidin-1-yl)-2-oxidanylidene-ethoxy]phenyl]-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[4-[3-[2-(3-aminopyrrolidin-1-yl)-2-oxo-ethoxy]phenyl]thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[4-[3-[2-(3-amino-1-pyrrolidinyl)-2-oxoethoxy]phenyl]-2-thiazolyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[4-[3-[2-(3-aminopyrrolidin-1-yl)-2-oxoethoxy]phenyl]-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[4-[3-[2-(3-aminopyrrolidino)-2-keto-ethoxy]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=CC(=CC=C3)OCC(=O)N4CCC(C4)N

Isomeric SMILES

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

InChI

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