4-azanyl-N5-[(1S)-2-(cyclohexylamino)-1-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(1S)-2-(cyclohexylamino)-1-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(cyclohexylamino)-1-(1H-indol-3-yl)-2-oxo-ethyl]-N5-phenyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(1S)-2-(cyclohexylamino)-1-(1H-indol-3-yl)-2-oxoethyl]-N5-phenylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(1S)-2-(cyclohexylamino)-1-(1H-indol-3-yl)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(cyclohexylamino)-1-(1H-indol-3-yl)-2-keto-ethyl]-N'-phenyl-isothiazole-3,5-dicarboxamide Formula: C27H28N6O3S MolecularWeight: 516.61462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CNC3=CC=CC=C32)N(C4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H](C2=CNC3=CC=CC=C32)N(C4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

InChI

InChI=1S/C27H28N6O3S/c28-21-22(25(29)34)32-37-24(21)27(36)33(17-11-5-2-6-12-17)23(26(35)31-16-9-3-1-4-10-16)19-15-30-20-14-8-7-13-18(19)20/h2,5-8,11-16,23,30H,1,3-4,9-10,28H2,(H2,29,34)(H,31,35)/t23-/m0/s1