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

Systemtic Name: 4-azanyl-N5-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-ethylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N5-(4-ethylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(cyclohexylamino)-2-keto-1-(2-thienyl)ethyl]-N'-(4-ethylphenyl)isothiazole-3,5-dicarboxamide Formula: C25H29N5O3S2 MolecularWeight: 511.65946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CCC1=CC=C(C=C1)N([C@H](C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C25H29N5O3S2/c1-2-15-10-12-17(13-11-15)30(25(33)22-19(26)20(23(27)31)29-35-22)21(18-9-6-14-34-18)24(32)28-16-7-4-3-5-8-16/h6,9-14,16,21H,2-5,7-8,26H2,1H3,(H2,27,31)(H,28,32)/t21-/m1/s1