4-azanyl-N5-(2-ethylphenyl)-N5-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-quinolin-6-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(2-ethylphenyl)-N5-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-quinolin-6-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(benzylamino)-2-oxo-1-(6-quinolyl)ethyl]-N5-(2-ethylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-ethylphenyl)-N5-[2-oxo-2-[(phenylmethyl)amino]-1-(6-quinolinyl)ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(benzylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-(2-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-1-(6-quinolyl)ethyl]-N'-(2-ethylphenyl)isothiazole-3,5-dicarboxamide Formula: C31H28N6O3S MolecularWeight: 564.65742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C(C2=CC3=C(C=C2)N=CC=C3)C(=O)NCC4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

Isomeric SMILES

CCC1=CC=CC=C1N(C(C2=CC3=C(C=C2)N=CC=C3)C(=O)NCC4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

InChI

InChI=1S/C31H28N6O3S/c1-2-20-11-6-7-13-24(20)37(31(40)28-25(32)26(29(33)38)36-41-28)27(30(39)35-18-19-9-4-3-5-10-19)22-14-15-23-21(17-22)12-8-16-34-23/h3-17,27H,2,18,32H2,1H3,(H2,33,38)(H,35,39)