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

Systemtic Name: 4-azanyl-N5-[1-(cyclopentylamino)-1-oxidanylidene-hexan-2-yl]-N5-quinolin-3-yl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[1-(cyclopentylcarbamoyl)pentyl]-N5-(3-quinolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[1-(cyclopentylamino)-1-oxohexan-2-yl]-N5-(3-quinolinyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-quinolin-3-yl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[1-(cyclopentylcarbamoyl)pentyl]-N'-(3-quinolyl)isothiazole-3,5-dicarboxamide Formula: C25H30N6O3S MolecularWeight: 494.6091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1CCCC1)N(C2=CC3=CC=CC=C3N=C2)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CCCCC(C(=O)NC1CCCC1)N(C2=CC3=CC=CC=C3N=C2)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C25H30N6O3S/c1-2-3-12-19(24(33)29-16-9-5-6-10-16)31(17-13-15-8-4-7-11-18(15)28-14-17)25(34)22-20(26)21(23(27)32)30-35-22/h4,7-8,11,13-14,16,19H,2-3,5-6,9-10,12,26H2,1H3,(H2,27,32)(H,29,33)