5-(3-azanylpropylamino)-N-[4-(1-benzofuran-2-yl)phenyl]-4-chloranyl-1,2-thiazole-3-carboxamide

Systemtic Name: 5-(3-azanylpropylamino)-N-[4-(1-benzofuran-2-yl)phenyl]-4-chloranyl-1,2-thiazole-3-carboxamide Openeye Name: 5-(3-aminopropylamino)-N-[4-(benzofuran-2-yl)phenyl]-4-chloro-isothiazole-3-carboxamide CAS Name: 5-(3-aminopropylamino)-N-[4-(2-benzofuranyl)phenyl]-4-chloro-3-isothiazolecarboxamide IUPAC Name: 5-(3-aminopropylamino)-N-[4-(1-benzofuran-2-yl)phenyl]-4-chloro-1,2-thiazole-3-carboxamide Traditional Name: 5-(3-aminopropylamino)-N-[4-(benzofuran-2-yl)phenyl]-4-chloro-isothiazole-3-carboxamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)NC(=O)C4=NSC(=C4Cl)NCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)NC(=O)C4=NSC(=C4Cl)NCCCN

InChI

InChI=1S/C21H19ClN4O2S/c22-18-19(26-29-21(18)24-11-3-10-23)20(27)25-15-8-6-13(7-9-15)17-12-14-4-1-2-5-16(14)28-17/h1-2,4-9,12,24H,3,10-11,23H2,(H,25,27)