4-azanyl-N5-[(1S)-2-(cyclopentylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-quinolin-3-yl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(1S)-2-(cyclopentylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-quinolin-3-yl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(3-quinolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N5-(3-quinolinyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-quinolin-3-yl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]-N'-(3-quinolyl)isothiazole-3,5-dicarboxamide Formula: C25H24N6O3S2 MolecularWeight: 520.62646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CC=CS2)N(C3=CC4=CC=CC=C4N=C3)C(=O)C5=C(C(=NS5)C(=O)N)N

Isomeric SMILES

C1CCC(C1)NC(=O)[C@@H](C2=CC=CS2)N(C3=CC4=CC=CC=C4N=C3)C(=O)C5=C(C(=NS5)C(=O)N)N

InChI

InChI=1S/C25H24N6O3S2/c26-19-20(23(27)32)30-36-22(19)25(34)31(16-12-14-6-1-4-9-17(14)28-13-16)21(18-10-5-11-35-18)24(33)29-15-7-2-3-8-15/h1,4-6,9-13,15,21H,2-3,7-8,26H2,(H2,27,32)(H,29,33)/t21-/m1/s1