N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C26H22N4O3S2 MolecularWeight: 502.60788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3S2/c1-33-19-8-9-20-22(15-19)35-26(28-20)29-24(32)21-16-34-25(27-21)18-11-13-30(14-12-18)23(31)10-7-17-5-3-2-4-6-17/h2-6,8-9,15-16,18H,11-14H2,1H3,(H,28,29,32)