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

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-yl)-N5-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-yl)-N5-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-yl)-N5-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-yl)-5-N-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(1,3-benzodioxol-5-yl)-N'-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-keto-ethyl]isothiazole-3,5-dicarboxamide Formula: C25H25N5O6S MolecularWeight: 523.5609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)O)N(C3=CC4=C(C=C3)OCO4)C(=O)C5=C(C(=NS5)C(=O)N)N

Isomeric SMILES

C1CCC(C1)NC(=O)[C@H](C2=CC=C(C=C2)O)N(C3=CC4=C(C=C3)OCO4)C(=O)C5=C(C(=NS5)C(=O)N)N

InChI

InChI=1S/C25H25N5O6S/c26-19-20(23(27)32)29-37-22(19)25(34)30(15-7-10-17-18(11-15)36-12-35-17)21(13-5-8-16(31)9-6-13)24(33)28-14-3-1-2-4-14/h5-11,14,21,31H,1-4,12,26H2,(H2,27,32)(H,28,33)/t21-/m0/s1